This can be considered a Covid-19 project.
The compounds and names were taken from Knovel but except for molecular
mass, the data was taken from other references. Incidentally
Knovel has thousands of more compounds and should be considered another option
to the use of this table. However, the data in Knovel is often not very
precise and fewer compounds makes the search simpler if the compound of interest
is included below.
The table below should be regarded as a tertiary source and is intended only to make initial searches fast and convenient. However, all data that is used for important decisions should be checked in the literature. The primary goal of making this tabulation was to provide an easy and accessible resource for students trying to identify unknowns. The classic work by Shriner et. al., (still accessible online - see reference below) was a model for this work. Others will also hopefully find the tabulation to be useful for a variety of purposes. If errors are discovered or you have suggestions for additional compounds, please send an e-mail to Steven Murov at murovs@yosemite.edu . Please note that this was a tedious project and as it progressed through the alphabet, selection of compounds became more selective to speed up the process. This means that there is a greater chance of finding a desired compound if it is early in the alphabet. The choice of compounds certainly reflects the bias of this author and was based on how common the compound was perceived to be. Most bifunctional compounds were not included.
Notes: Most of the data was collected from references in the properties of compounds section below.
1. Unfortunately, several obvious errors were encountered in the tabulations in the references (primarily the WolframAlpha site) and many of these were from isomers. When a error was discovered, an attempt was made to find more accurate data but many errors undoubtedly went unnoticed and were included in the table below.
2. Most molecular mass data was taken from Knovel but it was noticed that even for isomers, the values could differ by as much as 0.03. Thus if the second place after the decimal is important, the value needs to be checked or calculated.
3. Melting points were sometimes given to the tenth with the tenth value of 0.5. This is probably not a significant figure but an average of values from different sources.
4. Boiling points should be used with caution as some were probably not at atmospheric pressure even though this was not cited in the source.
5. Enantiomers often have properties reported that differ by more than experimental error. These data need to be checked.
6. For the original list, the choice of sequential numbering was probably not the best choice. As a result, all compounds are still added in alphabetical order but the number assigned is the previous number with a 0.1 added.
7. Some might reasonably argue that Excel should have been used for this compilation. The choice of the clumsier html document was made to avoid the necessity of the extra step of downloading.
8. During the Covid crisis, one of the most difficult challenges for instructors is to find useful distance learning exercises. If anyone wants to copy and paste this data into Excel or another type of software and assign students the task of checking data or better, adding more compounds to the table, please feel free to do so. My only request is that any posting of the improved tables should give some credit to this source.
*****************************************************************************************************************************************************************************************
Click on the column heading to arrange the table
in ascending order (or descending on a second click). A click on the first or # column will return the order to the
original order. For methods of determining and interpreting physical
properties of organic compounds, please visit:
http://murov.info/orglab.htm .
For ir and nmr, click on Experiments 7 and 10 at the aforementioned site. For many other chemistry sites as well as pre-show PowerPoint presentations, please visit
http://murov.info .
For a table of solvent properties, please visit:
http://murov.info/orgsolvents.htm . Sites developed and uploaded by Steven Murov, Professor Emeritus of Chemistry, Modesto Junior College.
Click on the letter to jump to the alphabetical names beginning with: A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
# | Compound | Functional Group |
Molecular |
bp (°C) |
mp (°C) |
density |
refractive index |
||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 |
acenaphthene | aromatic | 154.2 | 279 | 93.6 | 1.024 | 1.6048 | ||||||||
2 |
acenaphthylene | aromatic | 152.19 | 280 | 92.5 | 0.899 | |||||||||
3 |
acetaldehyde | aldehyde | 44.05 | 20.2 | -123.5 | 0.784 | 1.3316 | ||||||||
4 |
acetamide | amide | 59.07. | 221 | 80 | 1.159 | 1.4274 | ||||||||
5 |
acetoaminophen | amide (arom.), phenol | 151.16 | 420 | 168 | 1.293 | |||||||||
6 |
acetanlide | amide (arom.) | 135.18 | 304 | 113.7 | 1.207 | 1.576 |
7 |
acetic acid | carboxylic acid | 60.05 | 118 | 16.6 | 1.049 | 1.3717 |
8 |
acetic anhydride | acid anhydride | 102.1 | 139.8 | -73.1 | 1.081 | 1.3901 |
9 |
1-acetonaphthone | ketone (arom.) | 170.2 | 302 | 10.5 | 1.119 | 1.628 |
10 |
2-acetonaphthone | ketone (arom.) | 170.2 | 301 | 56 | 1.117 | 1.6279 | ||||||||
11 | acetone | ketone | 58.08 | 56.3 | -95 | 0.790 | 1.3487 | ||||||||
12 |
acetonitrile | nitrile | 41.05 | 81.5 | -48 | 0.786 | 1.344 | ||||||||
13 |
acetophenone | ketone (arom.) | 120.13 | 202 | 19.5 | 1.028 | 1.533 | ||||||||
14 |
9-acetylanthracene | ketone (arom.) | 220.27 | 374 | 75.5 | 1.26 |
15 |
4-acetylbiphenyl | ketone (arom.) | 196.23 | 325 | 117 | 1.251 | ||
16 |
acetyl chloride | acid chloride | 78.5 | 52 | -112 | 1.104 | 1.389 | ||||||||
17 |
acetylene | alkyne | 26.04 | -75 | -81 | 0.618 | 1.0006 | ||||||||
18 |
acetylsalicylic acid | carbocylic acid | 180.18 | 140 (d) | 136 | 1.39 | 1.5623 | ||||||||
19 |
acridine | aromatic (nitrogen heterocycle) | 179.21 | 346 | 108 | 1.101 | 1.6877 | ||||||||
20 |
acrolein | aldenyde (unsat.) | 56.07 | 53 | -87 | 0.839 | 1.403 |
21 |
acrylamide | amide (unsat.) | 71.08 | >175 (d) | 84 | 1.122 | |
22 |
adamantane | alkane | 136.24 | 268 | 1.07 | ||||||||||
22.1 | adenine | purine | 135.13 | 360 | 0.9917 |
23 |
adenosine | nucleoside | 267.23 | 676 | 235 | 0.992 | |||
24 |
adipamide | amide | 144.17 | 371 | 227.5 | 1.243 | |||||||||
25 |
adipic acid | carboxylic acid | 146.12 | 265 | 152.6 | 1.398 | 1.439 | ||||||||
26 |
adipic acid monomethyl ester | acid, ester | 174.2 | 162 | 8 | 1.081 | 1.441 | ||||||||
27 |
adipoyl chloride | acid chloride | 183.02 | 106 | 1.259 | 1.471 | |||||||||
28 |
L-alanine | amino acid | 89.1 | 300 (d) | 29 |
aldol | aldehydride, alcohol | 88.11 | 162 | 94 | 1.108 | 1.4238 | |||
30 |
allyl acetate | ester (unsat.) | 100.12 | 103.5 | -96 | 0.928 | 1.404 | ||||||||
31 |
allyl alcohol | alcohol (unsat.) | 58.08 | 97 | -129 | 0.854 | 1.412 | ||||||||
32 |
allyl amine | amine (unsat.) | 57.1 | 53 | -88 | 0.761 | 1.42 | ||||||||
33 |
allyl benzene | aromatic, alkene | 118.8 | 156.5 | -40 | 0.892 | 1.511 | ||||||||
34 |
allyl ether | ether (unsat.) | 98.15 | 94.5 | -6 | 0.803 | 1.416 | 35 |
aluminum | element | 26.981 | 2519 | 660.32 | 2.7 | |
36 |
aluminium chloride | inorganic cmpd. | 133.32 | 190 | 37 |
aluminum oxide | inorganic cmpd. | 101.96 | 2040 | ||||||
38 |
2-aminoacetophenone | ketone, amine, arom. | 135.17 | 87.5 | 20 | 1.112 | 1.614 | ||||||||
39 |
3-aminoacetophenone | ketone, amine, arom. | 135.17 | 289.5 | 96 | ||||||||||
40 |
4-aminoacetophenone | ketone, amine, arom. | 135.17 | 293 | 105 | 1.13 | |||||||||
41 |
a-aminoacetophenone | ketone, amine, arom. | 135.17 | 251 | 20 | 1.118 | 1.571 | ||||||||
42 |
3-aminobenzoic acid | carboxylic acid, amine, arom. | 137.12 | 398 | 179 | 1.5105 | 43 |
4-aminobenzoic acid | carboxylic acid, amine, arom | 137.12 | 340 | 188 | 1.374 | ||
44 |
2-aminobenzonitrile | nitrile, amine, arom. | 118.14 | 267.5 | 46.5 | 1.26 | |||||||||
45 |
3-aminobenzonitrile | nitrile, amine, arom. | 118.14 | 289 | 50.5 | 1.14 | |||||||||
46 |
4-aminobenzonitrile | nitrile, amine, arom. | 118.14 | 84 | 1.274 | ||||||||||
47 |
2-aminobenzophenone | ketone, amine, arom. | 197.24 | 384 | 105 | 1.32 | |||||||||
48 |
4-aminobenzophenone | ketone, amine, arom. | 197.24 | 246 | 122.5 | 49 |
(S)-(-)-2-aminobutan-1-ol | alcohol, amine | 89.13 | 173 | -2 | 0.944 | 1.452 | ||
50 |
(R)-(+)-2-aminobutan-1-ol | alcohol, amine | 89.13 | 173 | -2 | 0.943 | 1.452 |
51 |
2-aminobutan-1-ol | alcohol, amine | 89.13 | 176 | -1 | 0.943 | 1.451 |
52 |
2-aminoheptane | amine | 115.21 | 143 | 0.766 | 1.419 | |||||||||
53 |
3-aminoheptane | amine | 115.21 | 158.5 | -36.24 | ||||||||||
54 |
2-aminophenol | phenol, amine | 109.13 | 233 | 172. | 1.328 | |||||||||
55 |
3-aminophenol | phenol, amine | 109.13 | 164 | 122 | 1.275 | |||||||||
56 |
4-aminophenol | phenol, amine | 109.13 | 284 | 187 |
57 |
2-aminopyridine | amine, arom. | 94.12 | 207 | 56 | 1.24 | 1.5655 | ||
58 |
3-aminopyridine | amine, arom. | 94.12 | 248 | 61.5 | ||||||||||
59 |
4-aminopyridine | amine, arom. | 94.12 | 273 | 156.5 | 1.25 | |||||||||
60 |
ammonia | inorganic | 17.03 | -33.33 | -77.73 | 1.355 | |||||||||
61 |
ammonium chloride | inorganic | 53.49 | 340 | 1.5256 | ||||||||||
62 |
sec-amyl acetate | ester | 130.19 | -70.8 | 134 | 0.9222 | 1.398 | 63 |
tert-amyl acetate | ester | 130.19 | 124 | -11.9 | 0.874 | 1.402 |
64 |
di-tert-amylamine | amine | 157.3 | 173 | 0.782 | 1.43 | |||||||||
65 |
tert-amylamine | amine | 87.16 | 77 | -105 | 0.746 | 1.4 | 66 |
n-amyl butyrate | ester | 158.24 | 186 | -73.2 | 0.863 | 1.41 |
67 |
di-isoamyl ether | ether | 158.29 | 176 | -78.46 | 0.775 | 1.407 | ||||||||
68 |
tert-amyl methyl ether | ether | 102.19 | 85.5 | 0.77 | 1.389 | |||||||||
69 |
androsterone | steroid, ketone, alcohol | 290.44 | 182.5 | |||||||||||
70 |
trans-anethole | ether (arom.), alkene | 148.2 | 234.5 | 21.3 | 0.988 | 1.5558 | ||||||||
71 |
o-anisaldehyde | aldehyde (arom.) | 238 | 238 | 37 | 1.127 | 1.5525 | 72 |
m-anisaldehyde | aldehyde (arom.) | 136.15 | 143 | 1.117 | 1.553 | |
73 |
p-anisaldehyde | aldehyde (arom.) | 136.15 | 248 | -1 | 1.119 | 1.573 | ||||||||
74 |
o-anisic acid | carboxylic acid (arom.) | 152.15 | 280 | 99 | 1.38 | |||||||||
75 |
m-anisic acid | carboxylic acid (arom.) | 152.15 | 171 | 106 | 1.14 | |||||||||
76 |
p-anisic acid | carboxylic acid (arom.) | 152.15 | 275 | 183.5 | ||||||||||
77 |
o-anisidine | amine (arom.), ether | 123.15 | 225 | 4.5 | 1.092 | 1.574 | 78 |
m-anisidine | amine (arom.), ether | 123.15 | 251 | 0 | 1.096 | 1.581 |
79 |
p-anisidine | amine (arom.), ether | 123.15 | 241.5 | 57.5 | 1.2 | 1.5559 | 80 |
anisole | ether (arom.) | 108.12 | 154 | -37 | 0.995 | 1.516 |
81 |
anthracene | aromatic hydrocarbon | 178.23 | 340 | 212.5 | 1.24 | 1.53 | ||||||||
82 |
9-anthracenecarboxaldehyde | aldenyde (arom.) | 206.24 | 369 | 104 | ||||||||||
83 |
anthranil | isoxazole | 119.12 | 101.5 | -18 | 1.183 | 1.584 | ||||||||
84 |
anthranilic acid | carboxylic acid, amine (arom.) | 137.14 | 312 | 146 | 1.362 | 1.578 | ||||||||
85 |
anthrone | ketone (arom.) | 194.23 | 343 | 154 |
86 |
D-arabinose | carbohydrate | 150.13 | 331 | 160 | 1.585 | |||
87 |
L-(+)arginine | amino acid | 174.2 | 368 | 222 | 1.3 | |||||||||
88 |
ascaridole | dioxa, alkene | 168.23 | 172 | 107 (d) | 1.05 | |||||||||
89 |
L-ascorbic acid | vitamin | 176.12 | 553 | 192 | 1.694 | |||||||||
90 |
D-(-)aspartic acid | carboxylic acid (di), amine | 133.1 | 300 | |||||||||||
91 |
azelaic acid | carboxylic acid (di) | 188.21 | 110 | 1.2087 | 92 |
azobenzene | azo (arom.) | 182.21 | 293 | 66.5 | 1.09 | |||
93 |
azomethane | azo | 58.08 | 1.5 | -77.9 | ||||||||||
94 |
azulene | aromatic hydrocarbon | 128.19 | 242 | 99 | ||||||||||
barbituric acid | pyrimidine | 128.1 | 441 | 252 | |||||||||||
96 |
benz[a}anthracene | aromatic hydrocarbon | 228.3 | 431.7 | 169 | ||||||||||
97 |
benzalacetone | ketone, alkene, arom. | 146.19 | 261 | 40.5 | 1.038 | |||||||||
98 |
benzaldehyde | aldehyde (arom.) | 106.11 | 178.5 | -26 | 1.045 | 1.545 | 99 |
benzamide | amide (arom.) | 121.12 | 288 | 126.5 | 1.35 | |
100 |
benzanilide | amide (arom.) | 197.22 | 162 | 1.314 |
101 |
benzanthrone | ketone (arom.) | 230.27 | 436 | 169 | 1.371 | |||
102 |
benz[b}anthracene | aromatic hydrocarbon | 228.3 | 431.7 | 169 | ||||||||||
103 |
benzene | aromatic hydrocarbon | 78.12 | 80 | 5.5 | 0.874 | 1.501 | ||||||||
104 |
benzeneacetaldehyde | aldehyde (arom.) | 120.13 | 195 | -10 | 1.027 | 1.535 | ||||||||
105 |
benzeneacetamide | amide (arom.) | 135.16 | 157 | |||||||||||
106 |
benzene-d6 | aromatic hydrocarbon | 84.15 | 79.1 | 6.8 | 0.95 | 1.497 | 107 |
benzidine | amine (arom.) | 184.24 | 359 | 126 | 1.251 | |
108 |
benzilic acid | carboxylic acid, alcohol, aromatic | 228.23 | 409 | 150 | ||||||||||
109 |
benzoic acid | carboxylic acid (arom.) | 122.12 | 249 | 123 | 1.316 | 1.504 | ||||||||
110 |
benzoic anhydride | anhydride (arom.) | 226.21 | 360 | 40 | 1.199 | 1.5766 | ||||||||
111 |
benzoin | ketone, alcohol (arom.) | 212.27 | 136 | |||||||||||
112 |
benzonitrile | nitrile (arom.) | 103.11 | 191 | -13 | 1.023 | 1.528 |
113 |
benzophenone | ketone (arom.) | 182.22 | 305 | 49 | 1.085 | 1.5975 |
114 |
benzopinacol | alcohol (arom.) | 366.45 | 508 | 172 | 1.24 |
115 |
p-benzoquinone | quinone | 108.1 | 174 | 114 | 1.318 | ||
116 |
benzoyl peroxide | peroxide (arom.) | 242.23 | 350 | 105 | 1.334 | 1.543 | ||||||||
117 |
N-benzylacetamide | amide (arom.) | 149.19 | 262.9 | 47.05 | ||||||||||
118 |
benzyl acetate | ester (arom.) | 150.18 | 206 | -51 | 1.054 | 1.502 | ||||||||
119 |
benzyl alcohol | alcohol (arom.) | 108.14 | 204 | -14.5 | 1.045 | 1.539 | ||||||||
120 |
benzylamine | amine (arom.) | 107.16 | 184.5 | 10 | 0.981 | 1.543 | 121 |
N-benzylaniline | amine (arom.) | 183.25 | 306.5 | 36.5 | 1.061 | 1.615 |
122 |
2-benzylaniline | amine (arom.) | 183.25 | 51.5 | |||||||||||
123 |
benzyl benzoate | ester (arom.) | 212.25 | 323.5 | 18.5 | 1.118 | 1.568 | ||||||||
124 |
benzyl butyrate | ester (arom.) | 178.23 | 240 | 1.009 | 1.494 | |||||||||
125 |
benzyl chloride | acid chloride (arom.) | 126.59 | 179 | -39 | 1.1 | 1.538 | ||||||||
126 |
benzyl cinnamate | ester (arom.) | 238.29 | 350 | 35.5 | 1.11 | 1.40 |
127 |
benzyl cyanide | nitrile (arom._ | 117.13 | 233.5 | -24 | 1.015 | 1.524 |
128 |
benzyl ether | ether (arom.) | 198.28 | 298 | 2.5 | 1.043 | 1.561 |
129 |
1-benzylnaphthalene | aromatic hydrocarbon | 218.3 | 392.5 | 59.5 | 1.166 | |
130 |
2-benzylnaphthalene | aromatic hydrocarbon | 218.3 | 294 | 58 | 1.176 | |||||||||
131 |
2-benzylphenol | phenol (arom.) | 184.24 | 312 | 50 | 1.1102 | 1.5994 | ||||||||
132 |
4-benzylphenol | phenol (arom.) | 184.24 | 80 | |||||||||||
133 |
benzyl phenyl ether | ether (arom.) | 184.24 | 286.5 | 40 | ||||||||||
134 |
benzyl propanoate | ester (arom.) | 164.2 | 222 | 1.03 | 1.497 |
135 |
bicyclo[4.1.0]heptane | alkane | 96.17 | 116 | 0.914 | 1.4546 | ||
136 |
bicyclo[2.2.1]hept-2-ene | alkene | 94.16 | 96 | 45 | 0.955 | 1.4995 | ||||||||
137 |
bicyclohexyl | alkane | 166.31 | 227 | 3.5 | 0.864 | 1.478 | ||||||||
139 |
bicyclopentyl | alkane | 138.21 | 189 | 0.879 | 1.463 | |||||||||
140 |
bilirubin | biladienes | 584.67 | 360 | 1.31 | ||||||||||
141 |
biphenyl | aromatic hydrocarbon | 154.2 | 255 | 69 | 1.175 | 1.588 | 142 |
4-biphenylacetic acid | carboxylic acid (arom.) | 212.25 | 365 | 159.5 | ||
143 |
biphenyl-4-carboxaldehyde | aldehyde (arom.) | 182.21 | 184 | 58 | ||||||||||
144 |
biphenyl-4-carboxylic acid | carboxylic acid (arom.) | 198.22 | 373 | 222.5 | 1.284 | |||||||||
145 | biphenylene | aromatic hydrocarbon | 152.2 | 262 | 113.5 | 1.284 | |||||||||
146 |
2-biphenylmethanol | alcohol (arom.) | 184.24 | 96 | 47 | 1.2 | |||||||||
147 |
4-biphenylmethanol | alcohol (arom.) | 184.24 | 98 | |||||||||||
148 |
borneol | alcohol | 154.25 | 212 | 1.01 | ||||||||||
149 |
(-)-borneol | alcohol | 154.25 | 210 | 207 | 1.011 | |||||||||
150 |
4-bromoacetanilide | amide (arom.) | 214.08 | 347 | 167 | 1.717 | 151 |
bromoacetic acid | carboxylic acid | 138.95 | 208 | 48 | |||
152 |
2-bromoacetophenone | ketone (arom.) | 199.05 | 135 | 49 | 1.647 | |||||||||
153 |
3-bromoacetophenone | ketone (arom.) | 199.05 | 255 | 9.5 | 1.505 | 1.576 | ||||||||
154 |
4-bromoacetophenone | ketone (arom.) | 199.05 | 255 | 50 | 1.736 | |||||||||
155 |
2-bromoaniline | amine (arom.) | 172.03 | 229 | 26 | 1.52 | 1.6113 | ||||||||
156 |
3-bromoaniline | amine (arom.) | 172.03 | 251 | 16.5 | 1.58 | 1.625 | 157 |
4-bromoaniline | amine (arom.) | 172.03 | 59 | |||
158 |
2-bromoanisole | ether (arom.) | 187.04 | 223 | 2 | 1.502 | 1.573 | 159 |
3-bromoanisole | ether (arom.) | 187.04 | 210.5 | 2 | 1.477 | 1.563 |
160 |
4-bromoanisole | ether (arom.) | 187.04 | 223 | 9.5 | 1.494 | 1.564 |
161 |
9-bromoanthracene | aromatic halide | 257.13 | 359 | 98.5 |
162 |
2-bromobenzaldehyde | aldehyde (arom.) | 185.02 | 230 | 17.5 | 1.585 | 1.595 |
163 |
3-bromobenzaldehyde | aldehyde (arom.) | 185.02 | 234.5 | 19.5 | 1.587 | 1.593 | ||||||||
164 |
4-bromobenzaldehyde | aldehyde (arom.) | 185.02 | 244 | 56.5 | 1.85 | 1.5727 | ||||||||
165 |
4-brombenzamide | amide (arom.) | 200.04 | 328 | 191.5 | ||||||||||
166 |
bromobenzene | aromatic halide | 157.01 | 156 | -31 | 1.491 | 1.559 | ||||||||
167 |
3-bromobenzoic acid | carbocylic acid (arom.) | 201.02 | 156.5 | 168 |
4-bromobenzoic acid | carboxylic acid (arom.) | 201.02 | 253 | ||||||
169 |
2-bromobenzonitrile | nitrile (arom.) | 182.02 | 252 | 55 | 1.496 |
170 |
3-bromobenzonitrile | nitrile (arom.) | 182.02 | 225 | 39 | |||
171 |
4-bromobenzonitrile | nitrile (arom.) | 182.02 | 236 | 112.5 | 1.562 | |||||||||
172 |
4-bromobenzophenone | ketone (arom.) | 261.12 | 350 | 81.5 | ||||||||||
173 |
2-bromobenzylalcohol | alcohol (arom.) | 187.04 | 255 | 79 | ||||||||||
174 |
4-bromobenzylalcohol | alcohol (arom.) | 187.04 | 276.04 | 55.06 | ||||||||||
175 |
2-bromobiphenyl | aromatic halide | 233.11 | 297.5 | 175 | 1.352 | 1.628 | 176 |
3-bromobiphenyl | aromatic acid | 233.11 | 103.5 | 9 | 1.398 | 1.639 |
177 |
1-brombutane | alkyl halide | 137.02 | 101 | -112 | 1.276 | 1.4398 | ||||||||
178 |
2-bromobutane | alkyl halide | 137.02 | 91 | -112 | 1.255 | 1.437 | ||||||||
179 |
1-bromo-4-chlorobenzene | alkyl halide | 191.48 | 196 | 65.5 | 1.576 | 1.5531 | ||||||||
180 |
1-bromo-3-chlorobenzene | alkyl halide | 191.48 | 198 | -21.2 | 1.63 | 1.576 | ||||||||
181 |
1-bromo-2-chlorobenzene | aromatic halide | 191.48 | 204 | -12.1 | 1.638 | 1.582 | 182 |
1-bromo-4-chlorobutane | alkyl halide | 171.48 | 175 | 1.488 | 1.488 | |
183 |
1-bromo-1-chloroethane | alkyl halide | 143.41 | 82 | 1.667 | 1.466 | 184 |
1-bromo-2-chloroethane | alkyl halide | 143.41 | 106.5 | -16 | 1.723 | 1.488 | |
185 |
1-bromo-2-chloroethene | alkenyl halide | 141.39 | 79.76 | -76.21 | ||||||||||
186 |
1-bromo-5-chloropentane | alkyl halide | 185.5 | 211 | 1.408 | 1.484 | |||||||||
187 |
1-bromo-3-chloropropane | alkyl halide | 157.44 | 144.5 | -58 | 1.592 | 1.486 | ||||||||
188 |
2-bromo-2-chloropropane | alkyl halide | 157.44 | 95.25 | -57.44 | 1.495 | 1.4575 | ||||||||
189 |
2-bromo-1-chloropropane | alkyl halide | 157.44 | 116.5 | 1.537 | 1.478 |
190 |
1-bromo-2-chloropropane | alkyl halide | 157.44 | 98.04 | -74.86 | 1.531 | 1.4745 | |
191 |
bromocyclohexane | alkyl halide | 163.07 | 166.5 | -56.5 | 1.324 | 1.495 | ||||||||
192 |
bromocyclopentane | alkyl halide | 149.01 | 138 | 1.39 | 1.488 | |||||||||
193 |
bromoethane | alkyl halide | 108.99 | 15.8 | -139.5 | 1.4933 | |||||||||
194 |
2-bromoethanol | alcohol, halide | 124.97 | -80 | 1.763 | 1.492 | |||||||||
195 |
1-bromo-2-ethylbenzene | aromatic halide | 185.06 | 199 | -67.3 | 1.338 | 1.549 | 196 |
1-bromo-3-ethylbenzene | aromatic halide | 185.06 | 207.1 | 5.5 | 1.3493 | 1.5465 |
197 |
1-bromo-4-ethylbenzene | aromatic halide | 185.06 | 204 | -43.5 | 1.343 | 1.544 |
198 |
1-bromoheptane | alkyl halide | 179.1 | 140 | -58 | 1.14 | 1.45 |
199 |
2-bromoheptane | alkyl halide | 179.1 | 47 | 1.142 | 1.447 | |||||||||
200 |
4-bromoheptane | alkyl halide | 179.1 | 163 | 1.1565 | 1.4489 | |||||||||
201 |
1-bromohexane | alkyl halide | 165.07 | 156 | -85 | 1.176 | 1.448 | ||||||||
202 |
3-bromohexane | alkyl halide | 165.07 | 144 | 1.1934 | 1.45 | |||||||||
203 |
1-bromo-2-methylbutane | alkyl halide | 151.03 | 121.5 | 1.223 | 1.445 |
204 |
1-bromo-3-methylbutane | alkyl halide | 151.03 | 120.5 | -112 | 1.261 | 1.441 | |
205 |
2-bromo-2-methylbutane | alkyl halide | 151.03 | 107 | 1.182 | 1.442 | |||||||||
206 |
3-bromo-3-methylpentane | alkyl halide | 165.07 | 126.5 | -55.5 | ||||||||||
207 |
2-bromo-4-methylpentane | alkyl halide | 165.07 | 128.8 | -85.97 | ||||||||||
208 |
1-bromo-4-methylpentane | alkyl halide | 165.07 | 146 | 1.134 | 1.446 | |||||||||
209 |
1-bromooctane | alkyl halide | 193.12 | 291 | -55 | 1.118 | 1.452 | 210 |
2-bromooctane | alkyl halide | 193.12 | 175 | -48.83 | ||
211 |
1-bromopentane | alkyl halide | 151.03 | 130 | -95 | ||||||||||
212 |
3-bromopentane | alkyl halide | 151.03 | 118.5 | -126 | 1.216 | 1.445 | 213 |
2-bromophenol | phenol | 173.01 | 195 | 5 | 1.492 | 1.589 |
214 |
3-bromophenol | phenol | 173.01 | 236 | 30 | 1.641 | 1.3719 | ||||||||
215 |
4-bromophenol | phenol | 173.01 | 235.5 | 62.5 | 1.84 | |||||||||
216 |
1-bromopropane | alkyl halide | 123 | 71 | -110 | 1.354 | 1.434 | ||||||||
217 |
2-bromopropane | alkyl halide | 123 | 59 | -89 | 1.31 | 1.425 | ||||||||
218 |
3-bromopyridine | pyridine | 158 | 173 | -27 | 1.64 | 1.571 | 219 |
4-bromopyridine | pyridine | 158 | 0.5 | 1.645 | ||
220 |
2-bromotoluene | aromatic halide | 171.02 | 59 | -27 | 1.422 | 1.555 | ||||||||
221 |
3-bromotoluene | aromatic halide | 171.02 | 183.7 | -40 | 1.41 | 1.552 | ||||||||
222 |
4-bromotoluene | aromatic halide | 171.02 | 184 | 27.5 | 1.39 | 1.5477 | ||||||||
223 |
1,2-butadiene | alkene | 54.09 | 10.9 | -136.2 | 1.4205 | |||||||||
224 |
1,3-butadiene | alkene | 54.09 | -4.5 | -109 | 1.4223 | 225 |
1,2-butanediol | diol | 90.12 | -50 | 1.006 | 1.438 | ||
226 |
1,3-butanediol | diol | 90.12 | 203.5 | -50 | 1.005 | 1.44 | 227 |
1,4-butanediol | diol | 90.12 | 230 | 19.7 | 1.017 | 1.446 |
228 |
2,3-butanediol | diol | 90.12 | 183.5 | 25 | 0.995 | 1.433 | ||||||||
229 |
2,3-butanedione | ketone (di) | 86.09 | 88 | -2 | 0.981 | 1.394 | ||||||||
230 |
1-butanol | alcohol | 74.12 | 117 | -90 | 0.81 | 1.399 | ||||||||
231 |
2-butanol | alcohol | 74.12 | 98 | -115 | 0.808 | 1.397 | ||||||||
232 |
t-butanol | alcohol | 74.12 | 82.4 | 25.7 | 0.789 | 1.387 |
233 |
2-butanone | ketone | 72.11 | 80 | -87 | 0.805 | 1.379 |
234 |
1-butene | alkene | 56.11 | -6.3 | -185 | 0.626 | 1.3962 | ||||||||
235 |
cis-2-butene | alkene | 56.11 | 3.7 | -139 | 0.6213 | 1.3931 | ||||||||
236 |
trans-2-butene | alkene | 56.11 | 1 | -105 | 0.6042 | 1.3848 | ||||||||
237 |
cis-2-butene-1,4-diol | alcohol (di) | 88.11 | 235 | 11 | 1.082 | 1.4782 | ||||||||
238 |
trans-2-butene-1,4-diol | alcohol (di) | 88.11 | 7 | 1.07 | 1.478 | |||||||||
239 |
3-butenoic acid | carboxylic acid | 86.09 | 163 | -39 | 1.013 | 1.423 | ||||||||
240 |
3-buten-1-ol | alcohol | 72.11 | 113 | 0.838 | 1.421 | |||||||||
241 |
3-buten-1-one | ketone | 70.09 | 63.07 | -98.07 | 0.8 | 1.387 | ||||||||
242 |
1-buten-3-yne | alkyne | 52.08 | 5.1 | -93 | 0.709 | 1.4161 | ||||||||
243 |
sec-butyl acetate | ester | 116.16 | 111.5 | -99 | 0.872 | 1.389 | ||||||||
244 |
butyl acetate | ester | 116.16 | 125 | -78 | 0.88 | 1.394 | ||||||||
245 |
tert- butyl acetate | ester | 116.16 | 97.5 | 94 | 0.866 | 1.386 | ||||||||
246 |
n-butylamide | amide | 87.12 | 115 | 216 | 1.027 | 1.4087 | ||||||||
247 |
butylamine | amine | 73.14 | 78 | -49 | 0.74 | 1.401 | ||||||||
248 |
sec-butylamine | amine | 73.14 | 63 | -72 | 0.724 | 1.393 | ||||||||
249 |
tert-butylamine | amine | 73.14 | 46 | -67 | 0.696 | 1.377 | ||||||||
250 |
butylbenzene | aromatic hydrocarbon | 134.22 | 183 | -88 | 0.86 | 1.489 | ||||||||
251 |
sec-butylbenzene | aromatic hydrocarbon | 134.22 | 173.5 | 75.5 | 0.863 | 1.489 | ||||||||
252 |
tert-butylbenzene | aromatic hydrocarbon | 134.22 | 169 | -58 | 0.867 | 1.492 | ||||||||
253 |
butyl benzoate | ester (arom.) | 178.23 | 249 | -22 | 1.01 | 1.498 | ||||||||
254 |
4-butylbenzoic acid | carboxylic acid (arom.) | 178.22 | 313 | 106.5 | ||||||||||
255 |
4-t-butylbenzoic acid | carboxylic acid (arom.) | 178.22 | 283 | 163.5 | 1.405 | |||||||||
256 |
t-butyl bromide | halide | 137.02 | 72 | -20 | 1.22 | 1.428 | ||||||||
257 |
butyl butyrate | ester | 144.21 | 164.5 | -91.5 | 0.869 | 1.406 | ||||||||
258 |
di-sec-butyl ether | ether | 130.23 | 121 | -100 | 0.759 | 1.394 | ||||||||
259 |
butyl ethyl ether | ether | 102.18 | 91.5 | -124 | 0.75 | 1.382 | ||||||||
260 |
t-butyl ethyl ether | ether | 102.18 | 72.5 | -97 | 0.742 | 1.375 | ||||||||
261 | butyl formate | ester | 102.13 | 106.5 | -92 | 0.892 | 1.389 | ||||||||
262 |
n-butyl lithium | organolithium | 64.06 | 60 | -34 | 0.68 | |||||||||
263 |
t-butyl methyl ether | ether | 88.15 | 55.5 | -108.6 | 0.74 | 1.369 | ||||||||
264 |
butyl methyl ether | ether | 88.15 | 70.5 | -115 | 0.744 | 1.374 | ||||||||
265 |
butyl methyl ether | ether | 88.15 | 75 | 0.742 | 1.372 | |||||||||
266 |
1-butylnaphthalene | aromatic hydrocarbon | 184.28 | 289.3 | -19.8 | 0.974 | 1.5819 | ||||||||
267 |
1-t-butylnaphthalene | aromatic hydrocarbon | 184.28 | 294 | 48.45 | ||||||||||
268 |
2-t--butylnaphthalene | aromatic hydrocarbon | 184.28 | 281.6 | -5 | 0.965 | 1.5740 | ||||||||
269 |
t-butyl propionate | ester | 130.2 | 118.3 | -60 | 0.865 | 1.393 | ||||||||
270 |
butyl propionate | ester | 130.2 | 145 | -90 | 0.875 | 1.401 | ||||||||
271 |
2-butyne | alkyne | 54.09 | 27 | -32 | 0.691 | 1.393 | ||||||||
272 | 2-butyn-1-ol | alcohol | 70.09 | 142.5 | -2.2 | 0.937 | 1.453 | ||||||||
273 |
3-butyn-1-ol | alcohol | 70.09 | 128.9 | -63.6 | 0.926 | 1.441 | ||||||||
274 |
3-butyn-2-one | ketone | 68.08 | 85 | 0.87 | 1.406 | |||||||||
276 |
butyraldehyde | aldehyde | 72.11 | 75 | -96 | .8 | 1.38 | ||||||||
277 |
butyric acid | carboxylic acid | 88.11 | 162 | -4.5 | 0.964 | 1.398 | ||||||||
278 |
butyronitrile | nitrile | 69.11 | 116 | -112 | 0.794 | 1.384 | ||||||||
279 |
butyrophenone | ketone (aromatic) | 148.2 | 229 | 12 | 1.021 | 1.52 | ||||||||
280 | caffeine | alkaloid | 194.19 | 235.3 | 1.23 | 1.494 | |||||||||
281 |
(+)-camphene | bicyclic alkene | 136.22 | 159.4 | 45 | 0.839 | |||||||||
282 |
(-)-camphene | bicyclic alkene | 136.22 | 158 | 37 | 0.84 | |||||||||
283 |
(1)-(-)-camphor | bicyclic ketone | 152.23 | 236.4 | 73.45 | ||||||||||
284 |
(R)-(+)-camphor | bicyclic ketone | 152.23 | 236.4 | 73.45 | ||||||||||
285 |
carbon disulfide | sulfide | 76.13 | 46 | -115 | 1.266 | 1.627 | ||||||||
286 |
carbon monoxide | oxide | 28.01 | -191.5 | -205 | ||||||||||
287 |
b-carotene | polyene | 536.9 | 183 | |||||||||||
288 |
(S)-(+)-carvone | unsaturated ketone | 150.22 | 231 | 15 | 0.963 | 1.497 | ||||||||
289 |
(R)-(-)-carvone | unsaturated ketone | 150.22 | 231 | 0.963 | 1.497 | |||||||||
290 |
chloroacetic acid | carboxylic acid | 94.5 | 189 | 61.5 | ||||||||||
291 |
2-chloroacetophenone | ketone (arom.) | 154.6 | 244.5 | 55 | 1.324 | 1.5438 | ||||||||
292 |
3-chloroacetophenone | ketone (arom.) | 154.6 | 229 | 1.191 | 1.5506 | |||||||||
294 |
4-chloroacetophenone | ketone (arom.) | 154.6 | 232 | 16 | 1.192 | 1.554 | ||||||||
294 |
2-chloroaniline | amine (arom.) | 127.58 | 209 | 1.5 | 1.213 | 1.589 | ||||||||
295 |
3-chloroaniline | amine (arom.) | 127.58 | 95.5 | -10 | 1.206 | 1.594 | ||||||||
296 |
4-chloroaniline | amine (arom.) | 127.58 | 232 | 68.5 | 1.169 | 1.5546 | ||||||||
297 | 2-chloroanisole | ether (arom.) | 142.59 | 195.5 | -27 | 1.123 | 1.545 | ||||||||
298 |
3-chloroanisole | ether (arom.) | 142.59 | 193 | 1.164 | 1.536 | |||||||||
299 |
4-chloroanisole | ether (arom.) | 142.59 | 200 | -18 | 1.164 | 1.535 | ||||||||
300 |
1-chloroanthracene | aromatic halide | 212.68 | 78.5 | 1.171 | ||||||||||
301 |
2-chloroanthracene | aromatic halide | 212.68 | 347 | 222 | ||||||||||
302 |
2-chlorobenzaldehyde | aldehyde (arom.) | 140.58 | 212 | 10 | 1.248 | 1.566 | ||||||||
303 | 3-chlorobenzaldehyde | aldehyde (arom.) | 140.58 | 213 | 10.5 | 1.241 | 1.563 | ||||||||
304 |
4-chlorobenzaldehyde | aldehyde (arom.) | 140.58 | 213.5 | 47.5 | 1.196 | 1.555 | ||||||||
305 |
2-chlorobenzoic acid | carboxylic acid (arom.) | 156.68 | 139 | |||||||||||
306 |
3-chlorobenzoic acid | carboxylic acid (arom.) | 156.68 | 155 | |||||||||||
307 |
4-chlorobenzoic acid | carboxylic acid (arom.) | 156.68 | 239.5 | |||||||||||
308 |
2-chlorobenzonitrile | nitrile (arom.) | 137.58 | 232 | 44.5 | 1.19 | |||||||||
309 |
3-chlorobenzonitrile | nitrile (arom.) | 137.58 | 203 | 39 | 1.14 | |||||||||
310 |
4-chlorobenzonitrile | nitrile (arom.) | 137.58 | 223 | 91.5 | 1.1133 | 1.6088 | ||||||||
311 |
2-chlorobenzophenone | ketone (arom.) | 216.67 | 330 | 45.5 | ||||||||||
312 |
3-chlorobenzophenone | ketone (arom.) | 216.67 | 322 | 86 | ||||||||||
313 |
4-chlorobenzophenone | ketone (arom.) | 216.67 | 195.5 | 75 | ||||||||||
314 |
2-chlorobiphenyl | aromatic halide | 188.66 | 274 | 34 | 1.150 | |||||||||
315 |
3-chlorobiphenyl | aromatic halide | 188.66 | 285 | 16 | 1.158 | |||||||||
316 |
4-chlorobiphenyl | aromatic halide | 188.66 | 291 | 77 | ||||||||||
317 |
1-chlorobutane | alkyl halide | 92.57 | 77.5 | -123 | 0.886 | 1.402 | ||||||||
318 |
2-chlorobutane | alkyl halide | 92.57 | 69 | -140 | 0.873 | 1.396 | ||||||||
319 |
4-chloro-1-butanol | alcohol | 108.58 | 84.5 | 1.088 | 1.453 | |||||||||
320 |
3-chloro-2-butanone | ketone | 106.56 | 115.5 | 1.055 | 1.421 | |||||||||
321 |
4-chloro-2-butanone | ketone | 106.56 | 146 | -58.5 | 1.033 | 1.43 | ||||||||
322 |
chlorocyclohexane | alkyl halide | 118.6 | 142 | -44 | 1.0 | 1.462 | ||||||||
323 |
chlorocyclopentane | alkyl halide | 104.59 | 114 | -93 | 1.005 | 1.45 | ||||||||
324 |
1-chlorodecane | alkyl halide | 176.71 | 223 | -34 | 0.868 | 1.437 | ||||||||
325 |
1-chloro-3,3-dimethylbutane | alkyl halide | 120.62 | 118 | 0.867 | 1.4200 | |||||||||
326 | 2-chloro-2,3-dimethylbutane | alkyl halide | 120.62 | 112 | -10 | 0.813 | 1.4175 | ||||||||
327 |
2-chloro-2,4-dimethylpentane | alkyl halide | 134.65 | 133 | 0.861 | 1.418 | |||||||||
328 |
2-chloro-2,3-dimethylpentane | alkyl halide | 134.65 | 120.2 | -87.16 | 0.8773 | 1.4263 | ||||||||
329 |
1-chloro-2,2-dimethylpropane | alkyl halide | 106.6 | 84.5 | -20 | 0.866 | 1.404 | ||||||||
330 |
chloroethane | alkyl halide | 64.52 | 12.3 | -139 | ||||||||||
331 |
2-chloroethanol | alcohol | 80.52 | 129 | -89 | 1.201 | 1.441 | ||||||||
332 |
1-chloroheptane | alkyl halide | 134.64 | 160 | -69 | 0.872 | 1.424 | ||||||||
333 |
4-chloroheptane | alkyl halide | 134.64 | 144 | 0.871 | 1.4237 | |||||||||
334 |
1-chlorohexane | alkyl halide | 120.62 | 133 | -94 | 0.8739 | 1.4179 | ||||||||
335 |
2-chlorohexane | alkyl halide | 120.62 | 122 | 0.8654 | 1.4122 | |||||||||
336 |
3-chlorohexane | alkyl halide | 120.62 | 123 | 0.864 | 1.4143 | |||||||||
337 |
chloromethane | alkyl halide | 50.49 | -24.1 | -97.7 | 0.911 | 1.3389 | ||||||||
338 |
2-chloro-2-methylpentane | alkyl halide | 120.62 | 97.7 | -83.4 | 0.8582 | 1.4107 | ||||||||
339 |
3-chloro-3-methylpentane | alkyl halide | 120.62 | 115.5 | 0.8720 | 1.4188 | |||||||||
340 |
2-chloro-2-methylpropane | alkyl halide | 92.57 | 51.5 | -25 | 0.836 | 1.3828 | ||||||||
341 |
1-chloro-2-methylpropane | alkyl halide | 92.57 | 68.5 | -131 | 0.8719 | 1.3951 | ||||||||
342 |
1-chloronaphthalene | aromatic halide | 162.22 | 112 | -20 | 1.194 | 1.632 | ||||||||
343 |
2-chloronaphthalene | aromatic halide | 162.22 | 256 | 59.5 | 1.266 | 1.6079 | ||||||||
344 |
1-chlorononane | alkyl halide | 148.68 | 203 | -39.4 | 0.87 | 1.436 | 345 |
2-chlorooctane | alkyl halide | 148.68 | 172 | 0.862 | 1.4273 | |
346 |
(+)-2-chloropentane | alkyl halide | 106.6 | 94.5 | 0.8698 | 1.4069 | |||||||||
347 |
1-chloropentane | alkyl halide | 106.6 | 107.5 | -99 | 0.878 | 1.4104 | ||||||||
348 |
2-chloropentane | alkyl halide | 106.6 | 94.5 | 0.8659 | 1.4046 | |||||||||
349 |
3-chloropentane | alkyl halide | 106.6 | 97.5 | -105 | 0.8854 | 1.4059 | ||||||||
350 |
2-chlorophenol | phenol | 128.6 | 174.9 | 9.4 | 1.241 | 1.558 | ||||||||
351 |
3-chlorophenol | phenol | 128.6 | 214 | 34.5 | 1.218 | 1.563 | ||||||||
352 |
4-chlorophenol | phenol | 126.6 | 220 | 42.5 | 1.306 | |||||||||
353 |
2-chloro-1-propanol | alcohol | 94.55 | 133 | 1.1122 | 1.4362 | |||||||||
354 |
3-chloro-1-propanol | alcohol | 94.55 | 161 | -20 | 1.131 | 1.445 | ||||||||
355 |
cis-1-chloropropene | alkenyl halide | 76.53 | 32.45 | -134.8 | 0.9271 | 1.4000 | ||||||||
356 |
trans-1-chloropropene | alkenyl halide | 76.53 | 38 | -99 | 0.927 | 1.4000 | ||||||||
357 |
2-chloro-1-propene | alkenyl halide | 76.53 | 22.65 | -138.6 | 0.899 | 1.395 | ||||||||
358 |
2-chlorotoluene | aromatic halide | 126.59 | 158 | -36 | 1.083 | 1.525 | ||||||||
359 |
3-chlorotoluene | aromatic halide | 126.59 | 161 | -48 | 1.072 | 1.522 | ||||||||
360 |
4-chlorotoluene | aromatic halide | 126.59 | 162 | 7 | 1.07 | 1.52 | ||||||||
361 |
chlorotrifluoromethane | alkyl halide | 104.5 | -81.4 | -181 | 1.3 | 1.0996 | ||||||||
362 |
cholesteryl acetate | steroid | 428.7 | 113 | 1.11 | ||||||||||
363 |
cholesteryl benzoate | steroid | 490.77 | 149 | 0.9484 | 1.4803 | |||||||||
364 |
cholesteryl myristate | steroid | 597 | 631 | 70 | ||||||||||
365 |
chrysene | aromatic hydrocarbon | 228.29 | 448 | 253 | 1.274 | |||||||||
366 |
cinnamic acid | aromatic carboxylic acid | 148.16 | 300 | 133.5 | 1.2475 | 1.555 | ||||||||
367 |
cinnamyl alcohol | aromatic alcohol | 134.18 | 250 | 31.5 | 1.044 | 1.5751 | ||||||||
368 |
citric acid | carboxylic acid | 192.12 | 310 | 156 | 1.665 | 1.44 | ||||||||
369 |
R-(+)-citronellal | unsaturated aldehyde | 154.25 | 207 | 0.851 | 1.448 | |||||||||
370 |
S-(-)-citronellal | unsaturated aldehyde | 154.25 | 208 | 0.855 | 1.447 | |||||||||
371 |
codeine | opiate | 299.37 | 462 | 157.5 | 1.307 | |||||||||
372 |
coumarin | ester (arom.) | 146.14 | 298 | 70.5 | 1.4 | |||||||||
373 |
creatinene | imidizole | 113.12 | 337 | 1.38 | ||||||||||
374 | o-cresol | phenol | 108.13 | 191 | 30 | 1.047 | 1.5386 | ||||||||
375 | m-cresol | phenol | 108.13 | 203 | 9 | 1.034 | 1.541 | ||||||||
376 |
p-cresol | phenol | 108.13 | 202 | 33 | 1.034 | 1.5312 | ||||||||
377 |
crotonaldehyde | unsat. aldehyde | 70.09 | 102 | -74 | 0.858 | 1.4384 | ||||||||
378 |
crotonic acid | unsaturated carboxylic acid | 86.09 | 181 | 15 | 1.018 | 1.4455 | ||||||||
379 |
cyanic acid | hydroxy nitrile | 43.03 | 23 | -86 | ||||||||||
380 |
cyanuric acid | triazine, triol | 129.08 | 360 | |||||||||||
381 |
cyclobutanol | alcohol | 72.1 | 123 | 0.921 | 1.435 | |||||||||
382 |
cyclobutanone | ketone | 70.09 | 99 | 0.938 | 1.421 | |||||||||
383 |
cyclodecane | alkane | 140.29 | 80.7 | 6.6 | 0.779 | 1.43 | ||||||||
384 |
1,3-cycloheptadiene | diene | 94.16 | 120.5 | -110.4 | 0.868 | 1.498 | ||||||||
385 |
cycloheptane | alkane | 98.19 | 118.5 | -12 | 0.811 | 1.445 | ||||||||
386 |
cycloheptanol | alcohol | 114.19 | 185 | 2 | 0.948 | 1.477 | ||||||||
387 |
cycloheptanone | ketone | 112.19 | 179 | -21 | 0.951 | 1.461 | ||||||||
388 |
cycloheptatriene | triene | 92.15 | 116 | -80 | 0.888 | 1.519 | ||||||||
389 |
cycloheptene | alkene | 96.17 | 113.4 | -56 | 0.824 | 1.458 | ||||||||
390 | 1,3-cyclohexadiene | diene | 80.13 | 96 | -103 | 0.841 | 1.474 | ||||||||
391 | 1,4-cyclohexadiene | diene | 80.13 | 88 | -49.2 | 0.847 | 1.472 | ||||||||
392 |
cyclohexane | alkane | 84.16 | 80.7 | 5.5 | 0.779 | 1.426 | ||||||||
393 |
trans-1,2-cyclohexanediol | diol | 116.18 | 237 | 102.5 | 1.147 | |||||||||
394 |
cis-1,2-cyclohexanediol | diol | 116.18 | 99 | 1.183 | 1.4644 | |||||||||
395 |
1,4-cyclohexanediol | diol | 116.18 | 150 | 99 | 1.17 | |||||||||
396 |
1,2-cyclohexanedione | ketone | 112.12 | 194 | 36 | 1.130 | 1.465 | ||||||||
397 |
1,3-cyclohexanedione | ketone | 112.12 | 235 | 103 | 1.25 | |||||||||
398 |
1,4-cyclohexanedione | ketone | 112.12 | 227 | 77.8 | 1.28 | 1.4576 | ||||||||
399 |
cyclohexanol | alcohol | 100.18 | 160.8 | 25.9 | 0.9624 | 1.465 | ||||||||
400 |
cyclohexanone | ketone | 98.15 | 155 | -47 | 0.947 | 1.45 | ||||||||
401 |
cyclohexane | alkane | 82.15 | 80.7 | 5.5 | 0.779 | 1.426 | ||||||||
402 |
2-cyclohexen-1-one | unsaturated ketone | 96.13 | 172 | -53 | 0.993 | 1.488 | ||||||||
403 |
cyclohexylamine | amine | 99.18 | 134 | -17 | 0.867 | 1.459 | ||||||||
404 |
cic,cis-1,3-cyclooctadiene | diene | 108.19 | 143 | -53 | 0.869 | 1.4888 | ||||||||
405 |
cyclooctane | alkane | 112.21 | 151 | 11.5 | 0.834 | 1.458 | ||||||||
406 | cycloooctanol | alcohol | 128.21 | 107 | 14.5 | 0.974 | 1.486 | ||||||||
407 | cyclooctanone | ketone | 126.19 | 196 | 36.5 | 0.958 | 1.4689 | ||||||||
408 |
1,3,5-cyclooctatriene | triene | 106.17 | 145.5 | -83 | 0.8971 | 1.5035 | ||||||||
409 |
cis-cyclooctene | alkene | 110.2 | 145.5 | 16 | 0.846 | 1.469 | ||||||||
410 |
cyclopentadiene | diene | 66.1 | 42 | -85 | 0.8021 | 1.4463 | ||||||||
411 |
cyclopentane | alkane | 70.13 | -94 | 50 | 0.751 | 1.405 | ||||||||
412 |
cyclopentanol | alcohol | 86.13 | 139.5 | -19 | 0.949 | 1.453 | ||||||||
413 |
cyclopentanone | ketone | 84.12 | 130.5 | -51 | 0.951 | 1.437 | ||||||||
414 |
cyclopropane | alkane | 42.08 | -33 | -128 | 0.784 | 1.3799 | ||||||||
415 |
cyclopropanone | ketone | 56.06 | 74.12 | -59.18 | 0.867 | 1.474 | ||||||||
416 |
o-cymene | aromatic hydrocarbon | 134.22 | 178 | -71.5 | 0.877 | 1.499 | ||||||||
417 |
m-cymene | aromatic hydrocarbon | 134.22 | 175 | -64 | 0.861 | 1.492 | ||||||||
418 |
p-cymene | aromatic hydrocarbon | 134.22 | 177 | -67.9 | 0.86 | 1.49 | ||||||||
419 |
L-(+)-cysteine | amino acid | 121.15 | 254 | 220 | 1.523 | |||||||||
420 |
L-cystine | amino acid | 240.29 | 428 | 262 | 1.677 | |||||||||
420.1 | cytosine | pyrimidine | 111.19 | 300 | 0.992 | ||||||||||
decane | alkane | 142.3 | 174 | -30 | 0.73 | 1.411 | |||||||||
422 | 1-decanol | alcohol | 158.29 | 231 | 6 | 0.829 | 1.437 | ||||||||
423 | deoxybenzoin | ketone (arom.) | 196.23 | 320 | 54.5 | 1.201 | |||||||||
424 | deuterium oxide | inorganic | 20.03 | 101.4 | 3.8 | 1.107 | 1.328 | ||||||||
425 | dibenz[a,c]anthracene | aromatic hydrocarbon | 278.34 | 547.2 | 259.3 | ||||||||||
426 | dibenz[a,h]anthracene | aromatic hydrocarbon | 278.34 | 524 | 263.5 | 1.282 | |||||||||
427 |
dibenz[a,j]anthracene | aromatic hydrocarbon | 278.34 | 547.2 | 259.3 | ||||||||||
428 | dibenzofuran | aromatic ether | 302.37 | 154.5 | 81 | 0.966 | 1.6079 | ||||||||
429 |
dibenzylcarbonate | carbonate ester | 168.2 | 185 | 31 | ||||||||||
430 |
1,4-dibromobenzene | aromatic halide | 342.27 | 219 | 85 | 1.841 | 1.5743 | ||||||||
431 |
1,2-dibromobutane | alkyl halide | 215.91 | 59.5 | -64 | 1.789 | 1.514 | ||||||||
432 |
1,3-dibromobutane | alkyl halide | 215.91 | 178 | 1.8 | 1.508 | |||||||||
433 |
1,4-dibromobutane | alkyl halide | 215.91 | 64 | -20 | 1.808 | 1.519 | ||||||||
434 |
2,2-dibromobutane | alkyl halide | 215.91 | 105.5 | -24 | 1.756 | 1.513 | ||||||||
435 | 1,1-dibromobutane | alkyl halide | 215.91 | 157.3 | -33.7 | 1.784 | 1.4965 | ||||||||
436 |
1,2-dibromoethane | alkyl halide | 187.88 | 131.5 | 9.5 | 2.18 | 1.539 | ||||||||
437 |
(Z)-1,2-dibromoethene | ethenyl halide | 185.85 | 108.5 | -46.3 | 2.2464 | 1.5428 | ||||||||
438 |
(E)-1,2-dibromoethene | ethenyl halide | 185.85 | 110 | -53 | 2.27 | 1.541 | ||||||||
439 |
1,1-dibromoethene | ethenyl halide | 185.85 | 92 | 2.178 | ||||||||||
440 |
dibutyl ether | ether | 130.21 | 142.5 | -98 | 0.764 | 1.399 | ||||||||
441 |
diethyl phthalate | ester | 278.37 | 298.5 | -3 | 1.12 | 1.502 | ||||||||
442 |
dichloroacetic acid | carboxylic acid | 128.92 | 194 | 10 | 1.575 | |||||||||
443 |
9,10-dichloroanthracene | aromatic halide | 247.12 | 316 | 244 | 1.525 | |||||||||
444 |
1,2-dichlorobenzene | aromatic halide | 147 | 179 | -15 | 1.306 | 1.551 | ||||||||
445 |
1,3-dichlorobenzene | aromatic halide | 147 | 173 | -24 | 1.288 | 1.546 | ||||||||
446 |
1,4-dichlorobenzene | aromatic halide | 147 | 174 | 54 | 1.241 | 1.5434 | ||||||||
438 |
4,4'-dichlorobiphenyl | aromatic halide | 223.1 | 339 | 89.6 | ||||||||||
439 |
1,1-dichlorobutane | alkyl halide | 127.01 | 112 | 1.085 | 1.4333 | |||||||||
440 |
1,2-dichlorobutane | alkyl halide | 127.01 | 125 | 1.112 | 1.445 | |||||||||
441 |
1,3-dichlorobutane | alkyl halide | 127.01 | 134 | 1.115 | 1.443 | |||||||||
442 |
1,4-dichlorobutane | alkyl halide | 127.01 | 162 | -38 | 1.16 | 1.454 | ||||||||
443 |
2,2-dichlorobutane | alkyl halide | 127.01 | 102 | -74 | 1.09 | 1.43 | ||||||||
444 |
1,2-dichloronaphthalene | aromatic halide | 84.93 | 296 | 36 | 1.3147 | 1.5338 | ||||||||
445 | 1,4-dichloronaphthalene | aromatic halide | 197.07 | 288 | 67.5 | 1.2997 | 1.6228 | ||||||||
446 |
1,1-dichloropropane | alkyl halide | 112.99 | 88 | 1.13 | 1.428 | |||||||||
447 |
1,2-dichloropropane | alkyl halide | 112.99 | 95.5 | -100 | 1.156 | 1.439 | ||||||||
448 |
1,3-dichloropropane | alkyl halide | 112.99 | 121 | 99 | 1.19 | 1.448 | ||||||||
449 |
2,2-dichloropropane | alkyl halide | 112.99 | 68.5 | -35 | 1.082 | 1.415 | ||||||||
450 |
2,3-dichlorotoluene | aromatic halide | 161.01 | 207.5 | 6 | 1.228 | 1.551 | ||||||||
451 |
2,4-dichlorotoluene | aromatic halide | 161.01 | 200 | -13 | 1.246 | 1.546 | ||||||||
452 |
2,5-dichlorotoluene | aromatic halide | 161.01 | 198.5 | 4.5 | 1.254 | 1.547 | ||||||||
453 |
2,6-dichlorotoluene | aromatic halide | 161.01 | 199.5 | 2 | 1.254 | 1.55 | ||||||||
454 |
3,4-dichlorotoluene | aromatic halide | 161.01 | 200.5 | -15.2 | 1.251 | 1.547 | ||||||||
455 |
dieldrin | halide, epoxide | 380.91 | 385 | 143.5 | 1.75 | |||||||||
456 | diethyl adipate | ester | 202.24 | 251 | -19.5 | 1.009 | 1.427 | ||||||||
457 |
diethylamine | amine | 73.14 | 55 | -50 | 0.707 | 1.385 | ||||||||
458 |
1,2-diethyl benzene | aromatic hydrocarbon | 134.22 | 183 | -31 | 0.88 | 1.502 | ||||||||
459 |
1,3-diethyl benzene | aromatic hydrocarbon | 134.22 | 181 | -84.2 | 0.880 | 1.5 | ||||||||
460 |
1,4-diethyl benzene | aromatic hydrocarbon | 134.22 | 186.7 | -43 | 0.862 | 1.495 | ||||||||
461 |
(-)diethyl-(D)-tartrate | carbonate ester | 206.2 | 17 | 1.205 | 1.446 | |||||||||
462 |
diethyl ether | ether | 74.12 | 34.6 | -116 | 0.706 | 1.353 | ||||||||
463 |
diethyl phthalate | ester | 225.25 | 298.5 | -3 | 1.12 | 1.502 | ||||||||
464 |
diethyl stilbesterol | alkene (arom.), phenol | 268.34 | 351.5 | 172 | ||||||||||
465 |
diethyl succinate | ester | 174.2 | 218 | -20 | 1.047 | 1.42 | ||||||||
466 |
diodomethane | alkyl halide | 267.82 | 182 | 6 | 3.325 | 1.7559 | ||||||||
467 |
diisobutylphthalate | ester | 278.33 | 327 | -64 | 1.039 | 1.49 | ||||||||
468 |
diidopropylamine | amine | 101.19 | 84 | -61 | 0.722 | 1.392 | ||||||||
469 |
1,2-dimethoxyethane | ether | 90.12 | 85 | -58 | 0.867 | 1.379 | ||||||||
470 |
dimethoxymethane | ether | 76.09 | 42 | -105 | 0.821 | 1.3589 | ||||||||
471 |
dimethyladipate | ester | 174.2 | 109.5 | 8 | 1.062 | 1.428 | ||||||||
472 |
dimethylamine | amine | 45.09 | 7 | -93 | 0.68 | 1.35 | ||||||||
473 |
2,3-dimethylaniline | aromatic amine | 121.19 | 221.5 | 2.5 | 0.993 | 1.569 | ||||||||
474 |
2,4-dimethylaniline | aromatic amine | 121.19 | 218 | -14.3 | 0.98 | 1.558 | ||||||||
475 |
2,5-dimethylaniline | aromatic amine | 121.19 | 218 | 11.5 | 0.973 | 1.559 | ||||||||
476 |
2,6-dimethylaniline | aromatic amine | 121.19 | 214 | 11 | 0.984 | 1.56 | ||||||||
477 |
3,4-dimethylaniline | aromatic amine | 121.19 | 226 | 50 | 1.075 | |||||||||
478 |
3,5-dimethylaniline | aromatic amine | 121.19 | 218 | 8 | 0.972 | 1.557 | ||||||||
479 |
N,N-dimethylaniline | aromatic amine | 121.19 | 193.5 | 2 | 0.956 | 1.557 | ||||||||
480 |
N,2-dimethylaniline | aromatic amine | 121.19 | 190.5 | 0.981 | 1.5585 | |||||||||
481 |
N,3-dimethylaniline | aromatic amine | 121.19 | 205 | 0.957 | 1.556 | |||||||||
482 |
2,3-dimethylanisole | aromatic ether | 136.19 | 195 | 29 | 0.984 | 1.52 | ||||||||
483 |
2,4-dimethylanisole | aromatic ether | 136.19 | 191 | 0.973 | 1.514 | |||||||||
484 |
2,5-dimethylanisole | aromatic ether | 136.19 | 190 | 0.965 | 1.514 | |||||||||
485 |
2,6-dimethylanisole | aromatic ether | 136.19 | 182 | 0.962 | 1.503 | |||||||||
486 |
3,4-dimethylanisole | aromatic ether | 136.19 | 200.5 | 0.974 | 1.517 | |||||||||
487 |
3,5-dimethylanisole | aromatic ether | 136.19 | 193 | -0.2 | 0.963 | 1.512 | ||||||||
488 |
9,10-dimethylanthracene | aromatic hydrocarbon | 200.29 | 371 | 183 | ||||||||||
489 |
2,3-dimethylbenzoic acid | aromatic carboxylic acid | 150.19 | 282 | 145 | 1.283 | |||||||||
490 |
2,4-dimethylbenzoic acid | aromatic carboxylic acid | 150.19 | 267 | 125 | ||||||||||
491 |
2,5-dimethylbenzoic acid | aromatic carboxylic acid | 150.19 | 268 | 133 | 1.06 | |||||||||
492 |
2,6-dimethylbenzoic acid | aromatic carboxylic acid | 150.19 | 115 | |||||||||||
493 |
3,4-dimethylbenzoic acid | aromatic carboxylic acid | 150.19 | 295 | 164 | ||||||||||
494 |
3,5-dimethylbenzoic acid | aromatic carboxylic acid | 150.19 | 278 | 170 | 1.211 | |||||||||
495 |
2,4-dimethylbenzophenone | ketone (arom.) | 210.28 | 350 | 1.074 | 1.588 | |||||||||
496 |
3,4-dimethylbenzophenone | ketone (arom.) | 210.28 | 46 | |||||||||||
497 |
3,4'-dimethylbenzophenone | ketone (arom.) | 210.28 | 386.6 | 113.5 | ||||||||||
498 |
4,4'-dimethylbenzophenone | ketone (arom.) | 210.28 | 200 | 91.5 | 1.18 | |||||||||
499 |
2,3-dimethyl-1,3-butandiene | diene | 82.15 | 68.5 | -76 | 0.726 | 1.438 | ||||||||
500 | 2,2-dimethylbutane | alkane | 86.18 | 50 | -100 | 0.649 | 1.369 | ||||||||
501 |
2,2-dimethyl-1-butanol | alcohol | 102.18 | 136.5 | -15 | 0.828 | 1.4208 | ||||||||
502 |
2,3-dimethyl-1-butanol | alcohol | 102.18 | 149 | -14 | 0.83 | 1.419 | ||||||||
503 |
2,3-dimethyl-2-butanol | alcohol | 102.18 | 120 | -14 | 0.823 | 1.417 | ||||||||
504 |
3,3-dimethyl-2-butanol | alcohol | 102.18 | 120 | 4.8 | 0.812 | 1.415 | ||||||||
505 |
3,3-dimethyl-1-butanol | alcohol | 102.18 | 143 | -60 | 0.81 | 1.412 | ||||||||
506 |
3,3-dimethyl-2-butanone | ketone | 100.18 | 106 | -53 | 0.801 | 1.396 | ||||||||
507 |
2,3-dimethyl-1-butene | alkene | 84.16 | 56 | -158 | 0.68 | 1.389 | ||||||||
508 |
3,3-dimethyl-1-butene | alkene | 84.16 | 41 | -115 | 0.653 | 1.376 | ||||||||
509 |
2,3-dimethyl-2-butene | alkene | 84.16 | 73 | -76 | 0.708 | 1.412 | ||||||||
510 | dimethyl carbonate | carbonic acid ester | 90.08 | 90 | 3 | 1.069 | 1.368 | ||||||||
511 | 1,1-dimethylcylcohexane | alkane | 112.21 | 119 | -33.3 | 0.777 | 1.428 | ||||||||
512 | cis-1,2-dimethylcylcohexane | alkane | 112.21 | 129.5 | -90 | 0.796 | 1.436 | ||||||||
513 | trans-1,2-dimethylcylcohexane | alkane | 112.21 | 123.5 | -89 | 0.77 | 1.427 | ||||||||
514 | 1,3-dimethylcylcohexane | alkane | 112.21 | 122.5 | 0.767 | 1.426 | |||||||||
515 | 1,4-dimethylcylcohexane | alkane | 112.21 | 120 | -87 | 0.773 | 1.426 | ||||||||
516 | cis-1,4-dimethylcylcohexane | alkane | 112.21 | 124.5 | -87.5 | 0.783 | 1.429 | ||||||||
517 | dimethyl ether | ether | 46.07 | -24.8 | -141 | 0.6648 | 1.3288 | ||||||||
518 |
N,N-dimethylformamide | amide | 73.09 | 153 | -61 | 0.944 | 1.43 | ||||||||
519 |
dimethyl phthalate | ester (arom.) | 194.19 | 282 | 2 | 1.19 | 1.515 | ||||||||
520 |
2,2-dimethylpropane | alkane | 72.15 | 10 | 0.613 | 1.3476 | |||||||||
521 |
2,2-dimethyl-1-propanol | alcohol | 88.15 | 113.5 | 54 | 0.818 | 1.425 | ||||||||
522 |
dimethyl succinate | ester | 146.13 | 200 | 19 | 1.117 | 1.419 | ||||||||
53 |
dimethyl sulfoxide | sulfoxide | 78.13 | 189 | 18 | 1.10 | 1.479 | ||||||||
524 |
(+)-dimethyltartrate | estere | 178.14 | 280 | 60 | 1.4 | 1.47 | ||||||||
525 | 1,4-dioxane | ether | 88.11 | 101 | 11 | 1.034 | 1.422 | ||||||||
526 |
1,1-diphenylacetone | ketone (arom.) | 210.29 | 61 | 1.5361 | ||||||||||
527 |
diphenylacetylene | alkyne (arom.) | 178.22 | 60 | 0.99 | 1.606 | |||||||||
528 |
diphenylamine | amine (arom.) | 169.21 | 302 | 51.5 | 1.165 | 1.6189 | ||||||||
529 |
diphenyl carbonate | carbonate | 214.21 | 301.5 | 80.5 | 1.272 | |||||||||
530 |
1,2-diphenylcyclopropane | aromatic hydrocarbon | 194.27 | 324.9 | 52.2 | ||||||||||
531 |
1,1-diphenylethane | aromatic hydrocarbon | 182.27 | 273 | -18 | 0.9997 | 1.5756 | ||||||||
532 |
diphenyl ether | ether (arom.) | 170.2 | 259 | 26 | 1.073 | 1.579 | ||||||||
533 |
dipropyl amine | amine | 101.19 | 107.5 | -63 | 0.738 | 1.405 | ||||||||
534 |
dipropyl ether | ether | 102.19 | 89 | -123 | 0.736 | 1.38 | ||||||||
535 |
dodecane | alkane | 170.34 | 216 | -9.6 | 0.75 | 1.421 | ||||||||
ethanol | alcohol | 46.07 | 78 | -114 | 0.789 | 1.36 | |||||||||
537 |
1-ethoxynaphthalene | ether (arom.) | 172.23 | 280 | 5.5 | 1.071 | 1.5931 | ||||||||
538 | 2-ethoxynaphthalene | ether (arom.) | 172.23 | 282 | 36 | 1.064 | 1.593 | ||||||||
539 |
ethyl acetate | ester | 88.105 | 77 | -84 | 0.902 | 1.3724 | ||||||||
540 |
ethyl acrylate | ester | 100.12 | 99 | -71 | 0.918 | 1.406 | ||||||||
541 |
N-ethylaniline | aethylaniline | 121.19 | 205 | -63 | 0.963 | 1.554 | ||||||||
542 |
2-ethylaniline | ethylaniline | 121.19 | 210 | -44 | 0.983 | 1.559 | ||||||||
543 |
3-ethylaniline | ethylaniline | 121.19 | 212 | -8 | 0.975 | 1.555 | ||||||||
544 |
4-ethylaniline | ethylaniline | 121.19 | 216 | -5 | 0.975 | 1.554 | ||||||||
545 |
ethylbenzene | aromatic hydrocarbon | 106.17 | 136 | -95 | 0.867 | 1.495 | ||||||||
546 |
ethyl benzoate | ester (arom.) | 150.19 | 212 | -34 | 1.045 | 1.504 | ||||||||
547 |
ethyl butyrate | ester | 116.18 | 120 | -93 | 0.875 | 1.392 | ||||||||
548 |
ethylcyclohexane | alkane | 112.21 | 131 | -111 | 0.788 | 1.432 | ||||||||
549 |
ethylene glycol | diol | 62.07 | 197 | -13 | 1.113 | 1.431 | ||||||||
550 |
ethyl fluoride | alkyl halide | 48.07 | -37.7 | -143.2 | 0.901 | 1.3033 | ||||||||
551 |
ethyl isobutyate | ester | 116.18 | 112.5 | -88 | 0.865 | 1.387 | ||||||||
552 |
ethyl methyl ether | ether | 60.1 | 7 | -113 | 0.725 | 1.342 | ||||||||
553 |
1-ethylnaphthalene | aromatic hydrocarbon | 156.22 | 259 | -14.5 | 1.008 | 1.606 | ||||||||
554 |
2-ethylnaphthalene | aromatic hydrocarbon | 156.22 | 251.5 | -70 | 0.992 | 1.599 | ||||||||
555 |
ethyl propionate | ester | 102.11 | 99 | -73 | 0.888 | 1.384 | ||||||||
556 |
1-ethylpropylamine | amine | 87.16 | 90 | 0.748 | 1.406 | |||||||||
557 |
2-ethyltoluene | aromatic hydrocarbon | 120.19 | 164 | -17.5 | 0.887 | 1.505 | ||||||||
558 |
3-ethyltoluene | aromatic hydrocarbon | 120.19 | 158.5 | -95.5 | 0.865 | 1.496 | ||||||||
559 |
4-ethyltoluene | aromatic hydrocarbon | 120.19 | 162 | -62 | 0.861 | 1.495 | ||||||||
560 |
eugenol | alcohol | 164.2 | 254 | -11 | 1.067 | 1.541 | ||||||||
ferrocene | metallocene | 186.02 | 249 | 173 | 1.49 | ||||||||||
562 |
flouranthene | aromatic hydrobarbon | 202.28 | 384 | 107.5 | 1.128 | 1.688 | ||||||||
563 |
fluorene | aromatic hydrocarbon | 166.21 | 298 | 112.5 | 1.203 | |||||||||
564 |
9-fluorenone | ketone (arom.) | 180.2 | 342 | 81.5 | 1.13 | 1.630 | ||||||||
565 |
fluorobenzene | aromatic halide | 96.1 | 85 | -42 | 1.024 | 1.465 | ||||||||
566 |
formaldehyde | aldehyde | 30.026 | -19.1 | -92 | 1.029 | 1.38 | ||||||||
567 |
formamide | amide | 45.041 | 210 | 2.5 | 1.134 | 1.447 | ||||||||
568 |
formic acid | carboxylic acid | 46.025 | 100.5 | 8.3 | 1.22 | 1.37 | ||||||||
569 |
d-(-)-fructose | carbohydrate | 180.16 | 552 | 105 | 1.459 | 1.5101 | ||||||||
570 |
fulvene | alkene (conjugated) | 78.11 | 80.96 | -85.43 | ||||||||||
571 |
furan | ether (unsat.) | 68.08 | 32 | -86 | 0.936 | 1.421 | ||||||||
572 |
furfural | aldehyde | 96.084 | 162 | -36 | 1.16 | 1.525 | ||||||||
D-(+)-galactose | carbohydrate | 180.16 | 527 | 166 | 1.616 | ||||||||||
574 |
geraniol | alcohol (unsat.) | 154.25 | 104 | 0.876 | 1.474 | |||||||||
575 | a-D-glucose | carbohydrate | 180.16 | 146 | 1.54 | ||||||||||
576 |
b-D-glucose | carbohydrate | 180.16 | 152 | 1.3 | ||||||||||
577 |
L-(+)-glutamic acid | amino acid | 147.13 | 267 | 205 | 1.53 | |||||||||
578 |
D-(-)-glutamic acid | amino acid | 147.13 | 267 | 202 | 1.538 | 1.410 | ||||||||
579 |
L-(+)-glutamine | amino acid | 146.15 | 266 | 185 | ||||||||||
580 |
D-(-)-glutamine | amino acid | 146.15 | 266 | 185 | 1.3394 | |||||||||
581 |
glutaraldehyde | aldehyde | 100.12 | 101 | -10 | 1.014 | 1.43 | ||||||||
582 |
glutaric acid | carboxylic acid | 132.11 | 200 | 96.5 | 1.484 | 1.4279 | ||||||||
583 |
glycerol | alcohol | 92.1 | 290 | 18 | 1.25 | 1.474 | ||||||||
584 |
glycine | amino acid | 75.07 | 262(d) | |||||||||||
584.1 | guanine | purine | 151.13 | 300 | 1.67 | ||||||||||
585 |
D-(-)-gulose | carbohydrate | 180.16 | ||||||||||||
heptane | alkane | 75.07 | 98 | -91 | 0.691 | 1.387 | |||||||||
587 |
heptanoic acid | carboxylic acid | 130.19 | 223 | -10.5 | 0.918 | 1.422 | ||||||||
588 |
1-heptanol | alcohol | 116.2 | 176 | -36 | 0.822 | 1.424 | ||||||||
589 |
2-heptanol | alcohol | 116.2 | 161 | 0.817 | 1.42 | |||||||||
590 |
3-heptanol | alcohol | 116.2 | 66 | -70 | 0.818 | 1.421 | ||||||||
591 |
4-heptanol | alcohol | 116.2 | 155 | 4.3 | 0.832 | 1.420 | ||||||||
592 |
2-heptanone | ketone | 114.19 | 149.5 | -35 | 0.82 | 1.408 | ||||||||
593 |
3-heptanone | ketone | 114.19 | 147.5 | -39 | 0.818 | 1.408 | ||||||||
594 |
4-heptanone | ketone | 114.19 | 145 | -33 | 0.817 | 1.407 | ||||||||
595 |
1,3,5-heptatriene | polyene | 94.15 | 114 | 0.764 | 1.5079 | |||||||||
596 |
hexachlorobenzene | aromatic halide | 284.79 | 324.5 | 228 | 2.045 | 1.5691 | ||||||||
597 |
hexachloroethane | alkyl halide | 236.72 | 187 | 184 | 2.091 | 1.533 | ||||||||
598 |
trans-1,3-hexadiene | diene | 82.15 | 73.2 | -102.4 | 0.701 | 1.4406 | ||||||||
599 |
trans,cis-2,4-hexadiene | diene | 82.15 | 83.5 | -96.1 | 0.7185 | 1.456 | ||||||||
600 |
trans,trans-2,4-hexadiene | diene | 82.15 | 82.2 | -44.9 | 0.7196 | 1.451 | ||||||||
601 |
cis,cis-2,4-hexadiene | diene | 82.15 | 85 | -126 | 0.730 | 1.4606 | ||||||||
602 |
hexafluorobenzene | aromatic halide | 186.08 | 81 | 3.9 | 1.612 | 1.377 | ||||||||
603 |
hexafluoroethane | alkyl halide | 138.01 | -78 | -100 | 1.607 | 1.206 | ||||||||
604 |
hexamethylenediamine | amine | 116.21 | 204.6 | 43.5 | 0.89 | 1.439 | ||||||||
605 |
hexanal | aldehyde | 100.18 | 130.5 | -56 | 0.815 | 1.404 | ||||||||
606 |
hexane | alkane | 86.18 | 68.7 | -95.3 | 0.6603 | 1.375 | ||||||||
607 |
(S)-(+)-2-hexanol | alcohol | 102.19 | 137.5 | 0.818 | 1.415 | |||||||||
608 |
2-hexanol | alcohol | 102.19 | 137.5 | 0.814 | 1.414 | |||||||||
609 |
3-hexanol | alcohol | 102.19 | 134.5 | -70 | 0.819 | 1.415 | ||||||||
610 |
2-hexanone | ketone | 100.18 | 127 | -57 | 0.812 | 1.401 | ||||||||
611 | 3-hexanone | ketone | 100.18 | 123 | -55.4 | 0.815 | 1.400 | ||||||||
612 |
hexylamine | amine | 101.21 | 131.5 | -23 | 0.766 | 1.418 | ||||||||
613 |
1-hexyne | alkyne | 82.15 | 75.5 | -132 | 0.715 | 1.399 | ||||||||
614 |
2-hexyne | alkyne | 82.15 | 84.5 | -91 | 0.731 | 1.414 | ||||||||
615 |
3-hexyne | alkyne | 82.15 | 81.5 | -61.5 | 0.723 | 1.411 | ||||||||
616 |
L-histidine | amino acid | 155.16 | 282 | |||||||||||
617 |
hydrazine | inorganic | 32.05 | 113.5 | 1 | 1.011 | 1.4698 | ||||||||
618 |
hydrazoic acid | inorganic mineral acid | 43.03 | 37 | -80 | 1.092 | |||||||||
619 |
hydrogen peroxide | inorganic | 34.02 | 150.2 | -0.4 | 1.44 | 1.34 | ||||||||
620 |
hydroquinone | phenol | 110.1 | 285 | 173.5 | 1.328 | 1.632 | ||||||||
621 |
hydroxylamine | inorganic amine | 33.03 | 100 | 1.078 | 1.39 | |||||||||
621.1 | ibuprofen | carboxylic acid (arom.) | 206.28 | 76 | |||||||||||
622 |
imidazole | alkaloid (nitrogen heterocycle) | 68.08 | 255 | 89 | 1.18 | 1.4808 | ||||||||
623 |
1-indanone | ketone (arom.) | 132.18 | 244 | 39 | 1.103 | 1.561 | ||||||||
624 |
indene | alkene (arom.) | 116.18 | 181.5 | -4 | 0.996 | 1.595 | ||||||||
625 |
indigo | heterocyclic dye | 262.27 | 300 | 1.48 | ||||||||||
626 |
indole | aromatic nitrogen heterocyclce | 117.18 | 253.5 | 52.5 | 1.22 | |||||||||
627 |
iodoethane | alkyl halide | 155.99 | 72 | -108 | 1.936 | 1.5168 | ||||||||
628 |
iodoform | alkyl halide | 393.72 | 218 | 119.5 | 4.008 | 1.786 | ||||||||
629 |
iodomethane | alkyl halide | 141.92 | 42.4 | -66.4 | 2.279 | 1.5293 | ||||||||
630 |
1-iodopropane | alkyl halide | 170 | 101 | -101.5 | 1.743 | 1.504 | ||||||||
631 |
2-iodopropane | alkyl halide | 170 | 89 | -90 | 1.703 | 1.498 | ||||||||
632 |
DL-isoborneol | alcohol (bicyclic) | 154.25 | 214 (d) | 0.992 | 1.502 | |||||||||
633 |
isobutyl acetate | ester | 116.18 | 116 | -99 | 0.867 | 1.39 | ||||||||
634 |
isobutyl bromide | alkyl halide | 137.01 | 91 | -118 | 1.26 | 1.435 | ||||||||
635 |
isobutyl butanoate | ester | 144.02 | 157.5 | 0.861 | 1.403 | |||||||||
636 |
isobutyl ether | ether | 130.23 | 130.8 | -101 | 0.75 | 1.39 | ||||||||
637 |
isoleucine | amino acid | 131.17 | 280 | |||||||||||
638 |
isooctane (2,2,4-trimethylpent.) | alkane | 114.23 | 98.5 | -1 | 0.692 | 1.391 | ||||||||
639 | isopentyl acetate | ester | 130.19 | 142 | -78 | 0.876 | 1.402 | ||||||||
640 |
isopentyl amine | amine | 87.16 | 06 | -68 | 0.751 | 1.408 | ||||||||
641 |
isopentyl butanoate | ester | 158.24 | 184.5 | -73.2 | 0.862 | 1.411 | ||||||||
642 |
isopentyl formate | ester | 116.16 | 123.5 | -93 | 0.859 | 1.397 | ||||||||
643 |
isophthalic acid | carboxylic acid (arom.) | 166.12 | 342 | 1.54 | ||||||||||
644 |
isoprene | alkene | 68.12 | 34 | -146 | 0.681 | 1.422 | ||||||||
645 |
isopropyl acetate | ester | 102.11 | 88 | -73 | 0.872 | 1.377 | ||||||||
646 |
isopropyl amine | amine | 59.11 | 33.5 | -101 | 0.688 | 1.374 | ||||||||
647 |
isovaleraldehyde | aldehyde | 86.13 | 90 | -60 | 0.803 | 1.388 | ||||||||
648 |
isovaleric acid | carboxylic acid | 102.11 | 176 | -29 | 0.925 | 1.403 | ||||||||
ketene | ketene | 42.04 | -56 | -134.1 | 0.65 | 1.4355 | |||||||||
lactic acid | carboxylic acid | 90.09 | 122 | 16.8 | 1.357 | 1.4392 | |||||||||
651 |
lactose | carbohydrate | 342.3 | 218 | 1.537 | ||||||||||
652 |
L-leucine | amino acid | 131.19 | 300 | 1.165 | ||||||||||
653 |
lidocaine | amide (arom.) | 234.34 | 351 | 70 | 1.04 | |||||||||
654 |
R-limonene | alkene | 136.24 | 175 | -89 | 0.86 | 1.473 | ||||||||
655 |
L-limonene | alkene | 136.24 | 176 | -90 | 0.844 | 1.471 | ||||||||
656 |
lindane | alkyl halide | 290.82 | 323.4 | 114 | 1.777 | 1.5299 | ||||||||
657 |
linoleic acid | carboxylic acid | 280.48 | 229.5 | -5 | 0.902 | 1.466 | ||||||||
658 |
DL-lysine | amino acid | 146.19 | 170 | |||||||||||
malathion | organophosphate | 330.36 | 156 | 2.8 | 1.232 | 1.5002 | |||||||||
660 |
maleic acid | carboxylic acid (unsat. di) | 116.08 | 256 | 131 | 1.59 | |||||||||
661 |
maleic anhydride | anhydride (unsat.) | 98.06 | 200 | 53.5 | 1.48 | 1.4476 | ||||||||
662 |
malic acid | carboxylic acid | 134.09 | 306 | 132 | 1.601 | |||||||||
663 |
malonic acid | carboxylic acid (di) | 104.08 | 387 | 136 | 1.669 | |||||||||
664 |
D-maltose | carbohydrate | 342.3 | 494 | 1.532 | ||||||||||
665 |
mandelic acid | carboxylic acid (arom.) | 152.15 | 322 | 118 | 1.361 | 1.5204 | ||||||||
666 |
D-mannose | carbohydrate | 180.16 | 376 | 133 | 1.539 | |||||||||
667 |
melamine | heterocycle, amine | 126.12 | 300 | 1.573 | ||||||||||
668 |
menthol | alcohol | 156.12 | 216 | 31 | 0.89 | 1.4615 | ||||||||
669 |
(-)-menthone | ketone | 154.25 | 208.5 | 6 | 0.881 | 1.442 | ||||||||
670 |
mescaline | amine (arom.), ether | 211.26 | 35.5 | |||||||||||
671 |
mesitaldehyde | aldehyde (arom.) | 148.2 | 237 | 11 | 1.005 | 1.553 | ||||||||
672 |
mesitylene | aromatic hydrocarbon | 120.19 | 164.5 | -45 | 0.864 | 1.499 | ||||||||
673 |
methane | alkane | 16.043 | -161.48 | -182.47 | ||||||||||
674 |
methanethiol | thiol | 48.1 | 6 | -123 | ||||||||||
675 |
methanol-d1 | alcohol | 33.048 | 66.5 | -98 | 0.813 | 1.327 | ||||||||
676 |
L-methionine | amino acid | 149.2 | 283d | 1.34 | ||||||||||
677 |
2-methoxyacetophenone | ketone (arom.) | 150.18 | 122.5 | 7.5 | 1.09 | 1.537 | ||||||||
678 |
3-methoxyacetophenone | ketone (arom.) | 150.18 | 240 | -8 | 1.094 | 1.542 | ||||||||
679 |
4-methoxyacetophenone | ketone (arom.) | 150.18 | 258 | 38 | 1.08 | |||||||||
680 |
2-methoxybenzoic acid | carboxylic acid (arom.) | 152.15 | 280 | 99 | 1.38 | |||||||||
681 |
3-methoxybenzoic acid | carboxylic acid (arom.) | 152.15 | 171 | 106 | 1.14 | |||||||||
682 |
4-methoxybenzoic acid | carboxylic acid (arom.) | 152.15 | 275 | 183.5 | 138.5 | |||||||||
683 |
2-methoxybenzonitrile | nitrile (arom.) | 133.15 | 135 | -24.5 | 1.093 | |||||||||
684 |
3-methoxybenzonitrile | nitrile (arom.) | 133.15 | 111.5 | 23 | 1.089 | 1.54 | ||||||||
685 |
4-methoxybenzonitrile | nitrile (arom.) | 133.15 | 256.5 | 58 | ||||||||||
686 |
2-methoxybenzophenone | ketone (arom.) | 212.3 | 37 | |||||||||||
687 |
3-methoxybenzophenone | ketone (arom.) | 212.3 | 44 | |||||||||||
688 |
4-methoxybenzophenone | ketone (arom.) | 212.3 | 355 | 61.5 | ||||||||||
689 |
2-methoxybiphenyl | ether (arom.) | 184.24 | 274 | 31.5 | 1.023 | 1.61 | ||||||||
690 |
4-methoxybiphenyl | ether (arom.) | 184.24 | 88 | |||||||||||
691 |
1-methoxynaphthalene | ether (arom.) | 158.19 | 136 | 5 | 1.09 | 1.621 | ||||||||
692 |
2-methoxynaphthalene | ether (arom.) | 158.19 | 274 | 71.5 | 1.064 | |||||||||
693 |
3-methoxyphenol | phenol | 124.13 | 114 | -17 | 1.131 | 1.552 | ||||||||
694 |
4-methoxyphenol | phenol | 124.13 | 243 | 56 | 1.55 | |||||||||
695 |
2-methoxypropane | ether | 74.12 | 32 | 0.7383 | 1.3576 | |||||||||
696 |
N-methylacetanilide | amide (arom.) | 141.19 | 227 | 101 | ||||||||||
697 |
3-methylacetanilide | amide (arom.) | 141.19 | 303 | 66 | 1.141 | |||||||||
968 |
4-methylacetanilide | amide (arom.) | 141.19 | 307 | 150 | 1.22 | |||||||||
699 |
methyl acetate | ester | 74.08 | 57.5 | -98 | 0.932 | 1.361 | ||||||||
700 |
2-methylacetophenone | ketone (arom.) | 134.19 | 214 | 1.026 | 1.532 | |||||||||
701 |
3-methylacetophenone | ketone (arom.) | 134.19 | 219 | -9 | 0.986 | 1.529 | ||||||||
702 |
4-methylacetophenone | ketone (arom.) | 134.19 | 226 | 23 | 1.005 | 1.533 | ||||||||
703 |
methyl acrylate | ester | 86.09 | 80 | -75 | 0.956 | 1.402 | ||||||||
704 |
methanol | alcohol | 32.04 | 64.7 | -98 | 0.791 | 1.329 | ||||||||
705 |
methylamine | amine | 31.06 | -6.3 | -93 | 0.785 | 1.371 | ||||||||
706 |
methyl p-anisate | ester | 166.19 | 244.5 | 50 | ||||||||||
707 |
2-methylanisole | ether (arom.) | 122.18 | 171 | 0.985 | 1.516 | |||||||||
708 |
3-methylanisole | ether (arom.) | 122.18 | 175.5 | -47 | 0.969 | 1.513 | ||||||||
709 |
4-methylanisole | ether (arom.) | 122.18 | 174 | -36 | 0.969 | 1.511 | ||||||||
710 |
1-methylanthracene | aromatic hydrocarbon | 192.27 | 363 | 87 | ||||||||||
711 | 2-methylanthracene | aromatic hydrocarbon | 192.27 | 354 | 205 | 1.181 | |||||||||
712 |
9-methylanthracene | aromatic hydrocarbon | 192.27 | 79 | 1.066 | 1.696 | |||||||||
713 |
methyl anthranilate | ester (arom.) | 151.18 | 256 | 24 | 1.168 | 1.582 | ||||||||
714 |
methyl benzoate | ester (arom.) | 136.13 | 198.5 | -12 | 1.088 | 1.516 | ||||||||
715 |
2-methylbenzophenone | ketone (arom.) | 196.25 | 126 | 28 | 1.083 | 1.596 | ||||||||
716 |
3-methylbenzophenone | ketone (arom.) | 196.25 | 184 | 1 | 1.095 | 1.597 | ||||||||
717 |
4-methylbenzophenone | ketone (arom.) | 196.25 | 326 | 56.8 | 0.993 | |||||||||
718 |
2-methyl-1-butanol | alcohol | 88.15 | 130 | -70 | 0.815 | 1.41 | ||||||||
719 |
3-methyl-1-butanol | alcohol | 88.15 | 130 | -117 | 0.809 | 1.406 | ||||||||
720 |
2-methyl-2-butanol | alcohol | 88.15 | 102 | -8.4 | 0.827 | 1.4047 | ||||||||
721 |
3-methyl-2-butanol | alcohol | 88.15 | 112 | 0.818 | 1.409 | |||||||||
722 |
3-methyl-2-butanone | ketone | 86.13 | 94 | -92 | 0.8046 | 1.3887 | ||||||||
723 |
2-methyl-1-butene | alkene | 70.13 | 31 | -137 | 0.65 | 1.378 | ||||||||
724 |
3-methyl-1-butene | alkene | 70.13 | 20 | -168.3 | 0.627 | 1.3643 | ||||||||
725 |
2-methyl-2-butene | alkene | 70.13 | 39 | -124 | 0.6623 | 1.3874 | ||||||||
726 |
2-methyl-3-butyn-2-ol | alkyne (hydroxy) | 84.12 | 104 | 2.6 | 0.868 | 1.42 | ||||||||
727 |
methyl butyrate | ester | 102.11 | 102.5 | -84 | 0.898 | 1.385 | ||||||||
728 |
methyl cinnamate | ester (arom.) | 162.19 | 261 | 35.5 | 1.0672 | 1.58 | ||||||||
729 |
methylcyclohexane | alkane | 98.19 | 101 | -126 | 0.77 | 1.422 | ||||||||
731 |
cis-2-methylcyclohexanol | alcohol | 114.19 | 164.5 | -38 | 0.93 | 1.462 | ||||||||
732 |
2-methylcyclohexanone | ketone | 112.19 | 162.5 | -14 | 0.924 | 1.448 | ||||||||
733 |
3-methylcyclohexanone | ketone | 112.19 | 169.5 | -73 | 0.914 | 1.446 | ||||||||
734 |
4-methylcyclohexanone | ketone | 112.19 | 170 | -41 | 0.914 | 1.444 | ||||||||
735 |
1-methylcyclohexene | alkene | 96.17 | 110.5 | -120.4 | 0.811 | 1.45 | ||||||||
736 |
3-methylcyclohexene | alkene | 96.17 | 104 | -124 | 0.805 | 1.4439 | ||||||||
737 |
4-methylcyclohexene | alkene | 96.17 | 101.5 | -115.5 | 0.799 | 1.441 | ||||||||
738 | methylene blue | heterocyclic aromatic salt | 319.86 | 190 (d) | 1.0 | 1.347 | |||||||||
739 |
methylenecyclohexane | alkene | 96.17 | 102.5 | -106.7 | 0.8 | 1.449 | ||||||||
740 |
methyl fluoride | alkyl halide | 34.03 | -78.4 | -141.8 | 0.557 | 1.3163 | ||||||||
741 |
methyl formate | ester | 60.05 | 33 | -100 | 0.974 | 1.343 | ||||||||
742 |
2-methyl heptane | alkane | 114.22 | 116 | -109 | 0.698 | 1.395 | ||||||||
743 |
methyl hexanonate | ester | 130.19 | 151 | -71 | 0.885 | 1.405 | ||||||||
744 |
methyl iodide | alkyl halide | 141.94 | 42.3 | -66.4 | 2.279 | 1.5293 | ||||||||
745 |
methyl isobutyrate | ester | 102.11 | 90 | -85 | 0.891 | 1.384 | ||||||||
746 |
2-methyl-1,3-pentadiene | diene | 82.15 | 75 | 0.722 | 1.4422 | |||||||||
747 |
cis-2-methyl-1,3-pentadiene | diene | 82.15 | 64.5 | -117.6 | 1,4451 | |||||||||
748 |
4-methyl-1,3-pentadiene | diene | 82.15 | 76.5 | -137 | 0.7181 | 1.452 | ||||||||
749 |
2-methylpentane | alkane | 86.19 | 62 | -154 | 0.653 | 1.371 | ||||||||
750 |
3-methylpentane | alkane | 86.18 | 64 | -118 | 0.664 | 1.376 | ||||||||
751 |
2-methyl-1-pentanol | alcohol | 102.19 | 148 | 0.824 | 1.418 | |||||||||
752 |
3-methyl-2-pentanol | alcohol | 102.19 | 132.5 | -85 | 0.831 | 1.421 | ||||||||
753 |
4-methyl-2-pentanol | alcohol | 102.19 | 132 | -90 | 0.802 | 1.41 | ||||||||
754 | 2-methyl-3-pentanol | alcohol | 102.19 | 128 | -53 | 0.819 | 1.417 | ||||||||
755 |
3-methyl-1-pentanol | alcohol | 102.19 | 151.5 | -70 | 0.823 | 1.418 | ||||||||
756 |
4-methyl-1-pentanol | alcohol | 102.19 | 162.5 | -70 | 0.821 | 1.414 | ||||||||
757 |
3-methyl-3-pentanol | alcohol | 102.19 | 123 | -38 | 0.824 | 1.418 | ||||||||
758 |
4-methyl-2-pentanone | ketone | 100.18 | 117.5 | -80 | 0.801 | 1.395 | ||||||||
759 |
3-methyl-2-pentanone | ketone | 100.18 | 118 | -83 | 0.815 | 1.4012 | ||||||||
760 |
2-methyl-3-pentanone | ketone | 100.18 | 113 | -69 | 0.811 | 1.397 | ||||||||
761 |
2-methylpropane | alkane | 58.13 | -12 | -160 | 1.3518 | |||||||||
762 |
2-methyl-1-propanol | alcohol | 74.12 | 108 | -108 | 0.803 | 1.396 | ||||||||
763 |
methyl propionate | ester | 88.11 | 79 | -88 | 0.915 | 1.376 | ||||||||
764 |
4-methylpropiophenone | ketone (arom.) | 148.2 | 238.5 | 91 | 0.993 | 1.528 | ||||||||
765 |
methyl stearate | ester | 298.53 | 181.5 | 39 | 1.007 | 1.4558 | ||||||||
766 |
3-methylstyrene | alkene (arom.) | 118.19 | 170.5 | -81.5 | 0.89 | 1.541 | ||||||||
767 |
4-methylstyrene | alkene (arom.) | 118.19 | 172.5 | -34 | 0.897 | 1.542 | ||||||||
768 |
methyl m-toluate | ester | 150.19 | 113 | 1.063 | 1.516 | |||||||||
769 |
methyl p-toluate | ester | 150.19 | 103.5 | 33.5 | 1.06 | |||||||||
770 |
N-methyl urea | urea | 74.09 | 240 | 100 | 1.204 | |||||||||
771 |
methyl valerate | ester | 116.18 | 128 | -91 | 0.875 | 1.397 | ||||||||
772 |
morphine | opiod (organic heterocyclic) | 285.35 | 254 | 1.31 | ||||||||||
773 |
morpholine | heterocyclic base | 87.12 | 129 | -6 | 0.996 | 1.454 | ||||||||
774 |
myrcene | diene | 136.24 | 167 | 0.791 | 1.469 | |||||||||
775 |
myristic acid | carboxylic acid (fatty acid) | 228.39 | 250 | 53 | 0.8622 | 1.4305 | ||||||||
776 |
myristicin | benzodioxoles | 192.22 | 277 | -20 | 1.1437 | 1.5403 | ||||||||
1-naphthaldehyde | aldehyde (arom.) | 156.19 | 160.5 | 1.5 | 1.15 | 1.652 | |||||||||
778 |
2-naphthaldehyde | aldehyde (arom.) | 156.19 | 59.5 | 1.078 | 1.6211 | |||||||||
779 |
1-naphthaleneacetic acid | carboxylic acid (arom.) | 186.2 | 352 | 130.3 | 1.263 | |||||||||
780 |
1-naphthoic acid | carboxylic acid (arom.) | 172.19 | 300 | 158.5 | 1.398 | 1.46 | ||||||||
781 |
2-naphthoic acid | carboxylic acid (arom.) | 172.19 | 333 | 186 | 1.382 | |||||||||
782 |
1-naphthol | phenol | 144.19 | 284 | 92 | 1.224 | 1.6224 | ||||||||
783 |
2-naphthol | phenol | 144.19 | 285.5 | 121 | 1.217 | 1.548 | ||||||||
784 |
2-naphthylamine | amine (arom.) | 143.19 | 306 | 112 | 1.061 | 1.6493 | ||||||||
785 |
nepetalactone | bicyclic monoterpenoid | 166.12 | 25 | 1.04 | 1.4878 | |||||||||
786 |
S-(-)-nicotine | alkaloid (arom. amine) | 162.22 | 247 | -79 | 1.01 | 1.5282 | ||||||||
787 |
ninhydrin | diketone (arom.) | 178.13 | 351 | 254 | 0.862 | |||||||||
788 |
nitrobenzene | aromatic nitro cmpd. | 123.1 | 210.5 | 5.5 | 1.196 | 1.551 | ||||||||
789 |
nitromethane | alkyl nitro cmpd. | 61.04 | 101.2 | -29 | 1.127 | 1.382 | ||||||||
790 |
2-nitrotoluene | aromatic nitro cmpd. | 137.13 | 225 | -3.5 | 1.163 | 1.546 | ||||||||
791 |
3-nitrotoluene | aromatic nitro cmpd. | 137.13 | 230.5 | 15 | 1.157 | 1.541 | ||||||||
792 |
4-nitrotoluene | aromatic nitro cmpd. | 137.13 | 238 | 53 | 1.104 | 1.5382 | ||||||||
793 |
nonane | alkane | 128.28 | 151 | -53 | 0.718 | 1.405 | ||||||||
octane | alkane | 114.22 | 126 | -57 | 0.703 | 1.398 | |||||||||
795 |
1-octanol | alcohol | 130.23 | 196 | -15 | 0.827 | 1.429 | ||||||||
796 |
(R)-(-)-2-octanol | alcohol | 130.23 | 175 | 0.820 | 1.426 | |||||||||
797 |
(S)-(+)-2-octanol | alcohol | 130.23 | 175 | 0.822 | 1.426 | |||||||||
798 |
3-octanol | alcohol | 130.23 | 176 | -45 | 0.818 | 1.426 | ||||||||
799 |
4-octanol | alcohol | 130.23 | 176 | -39 | 0.835 | 1.424 | ||||||||
800 |
oleic acid | carboxylic acid | 282.46 | 360 | 13.5 | 0.887 | 1.377 | ||||||||
801 |
oxalic acid | carboxylic acid (di) | 90.035 | 365 | 189.5 | 0.99 | |||||||||
802 |
oxalyl chloride | acid chloride | 126.93 | 63.5 | -9 | 1.5 | 1.429 | ||||||||
803 |
oxazole | azole (arom. heterocycle) | 69.063 | 69.5 | -85.5 | 1.05 | 1.425 | ||||||||
palmitic acid | carboxylic acid | 256.41 | 271.5 | 61.8 | 0.852 | 1.4281 | |||||||||
805 |
papaverine (HCl) | benzylisoquinoline alkaloid | 339.39 | 475 | 226 | 1.337 | |||||||||
806 |
paraldehyde | trioxane | 132.16 | 124 | 12 | 0.994 | 1.39 | ||||||||
807 |
parathion | organic thiophosphate | 291.26 | 375 | 6 | 1.270 | 1.5330 | ||||||||
808 |
pentacene | aromatic hydrocarbon | 278.34 | 300 | 1.3 | ||||||||||
809 |
cis-1,3-pentadiene | diene | 68.12 | 44 | -141 | 0.691 | 1.437 | ||||||||
810 |
trans-1,3-pentadiene | diene | 68.12 | 42 | -87 | 0.683 | 1.43 | ||||||||
811 | 1.4-pentadiene | diene | 68.12 | 26 | -148 | 0.659 | 1.389 | ||||||||
812 |
pentanamide | amide | 101.15 | 225 | 104 | 1.023 | 1.4155 | ||||||||
813 |
pentane | alkane | 72.15 | 36.1 | -129.7 | 0.6262 | 1.358 | ||||||||
814 |
2,3-pentadione | ketone | 100.11 | 111 | -52 | 0.957 | 1.404 | ||||||||
815 |
1-pentanol | alcohol | 88.15 | 137 | -38 | 0.811 | 1.409 | ||||||||
816 |
R-(-)-2-pentanol | alcohol | 88.15 | 119.5 | 0.809 | 1.406 | |||||||||
817 |
3-pentanol | alcohol | 88.15 | 114.5 | -8 | 0.815 | 1.41 | ||||||||
818 |
2-pentanone | ketone | 86.13 | 101 | -78 | 0.809 | 1.3903 | ||||||||
819 |
3-pentanone | ketone | 86.13 | 101.5 | -42 | 0.813 | 1.392 | ||||||||
820 |
1-pentene | alkene | 70.13 | 30 | -165 | 0.641 | 1.371 | ||||||||
821 |
cis-2-pentene | alkene | 70.13 | 37.5 | -180 | 0.65 | 1.382 | ||||||||
822 |
trans-2-pentene | alkene | 70.13 | 37 | -140 | 0.649 | 1.379 | ||||||||
823 | pentyl acetate | ester | 130.19 | 145.5 | -100 | 0.876 | 1.402 | ||||||||
824 |
pentylamine | amine | 87.16 | 104 | -50 | 0.752 | 1.411 | ||||||||
825 | perylene | aromatic hydrocarbon | 252.31 | 443 | 275 | 1.362 | |||||||||
826 |
a-phellandrene | diene (terpene) | 136.24 | 185.6 | 0.85 | 1.474 | |||||||||
827 |
phenacetin | amide (arom.) | 179.21 | 355 | 134.5 | 1.505 | |||||||||
828 |
phenanthrene | aromatic hydrocarbon | 178.22 | 340 | 99 | 1.063 | 1.5953 | ||||||||
829 |
phenetole | ether (arom.) | 122.18 | 169.5 | -30 | 0.966 | 1.507 | ||||||||
830 |
phenobarbital | barbiturate | 232.24 | 176 | 1.352 | 1.5299 | |||||||||
831 |
phenol | phenol | 94.11 | 181.9 | 40.9 | 1.071 | 1.5425 | ||||||||
832 |
phenolphthalein | phenol | 320.33 | 260 | 1.3 | 1.57 | |||||||||
833 |
phenyl acetate | ester (arom.) | 136.18 | 196 | 1.073 | 1.501 | |||||||||
834 |
phenyl acetic acid | carboxylic acid (arom.) | 136.18 | 265 | 77 | 1.081 | 1.5025 | ||||||||
835 |
phenyl acetylene | alkyne (arom.) | 102.12 | 143 | -44.8 | 0.93 | 1.549 | ||||||||
836 |
L-phenylalanine | amino acid | 165.2 | 313 | 272.5 | 1.2 | |||||||||
837 |
D-phenylalanine | amino acid | 165.2 | 283 | 1.34 | ||||||||||
838 |
9-phenylanthracene | aromatic hydrocarbon | 254.32 | 417 | 154 | ||||||||||
839 |
phenyl benzoate | ester (arom.) | 198.21 | 298.5 | 69 | 1.041 | 1.5502 | ||||||||
840 |
2-phenylethanol | alcohol (arom.) | 122.18 | 220 | -27 | 1.02 | 1.532 | ||||||||
841 | b-phenethylamine | amine (arom.) | 121.19 | 197.5 | 0.962 | 1.533 | |||||||||
842 |
1- phenethylamine | amine (arom.) | 121.19 | 185 | -65 | 0.94 | 1.526 | ||||||||
843 | 2-phenyl-2-propanol | alcohol (arom.) | 136.2 | 202 | 30 | 0.973 | 1.52 | ||||||||
844 | phenyl salicylate | ester (arom.) | 214.21 | 172.5 | 42 | 1.307 | |||||||||
845 |
3-phenyl toluene | aromatic hydrocarbon | 168.23 | 282 | 28.5 | 1.018 | 1.602 | ||||||||
846 |
4-phenyl toluene | aromatic hydrocarbon | 168.23 | 267.5 | 45.5 | 1.015 | |||||||||
847 |
phthalic acid | carboxylic acid (arom.) | 166.12 | 316 | 79 | 1.576 | |||||||||
848 |
phthalic anhydride | anhydride (arom.) | 148.11 | 284 | 132.4 | 1.545 | |||||||||
849 |
picric acid | nitro phenol | 229.11 | 255 | 122.5 | 1.76 | 1.763 | ||||||||
850 |
a-pinene | alkene (bicyclic) | 216.37 | 155 | -50 | 0.858 | 1.4657 | ||||||||
851 |
piperazine | amine | 86.14 | 145.5 | 110.5 | 1.26 | 1.446 | ||||||||
852 |
piperidine | amine | 86.15 | 106 | -13 | 0.862 | 1.452 | ||||||||
853 |
piperonal | aldehyde (arom.) | 150.12 | 264 | 37 | 1.279 | |||||||||
854 |
pivalic acid | carboxylic acid | 102.11 | 163.5 | 33.5 | 0.889 | 1.393 | ||||||||
855 |
polystyrene | polymer (arom.) | 104.15 | 212 | 1.06 | 1.5916 | |||||||||
856 |
progesterone | steroid | 314.48 | 130 | 1.17 | 1.5204 | |||||||||
857 |
L-(-)-proline | amino acid | 115.13 | 250 | 149.5 | ||||||||||
858 |
R-(-)-1,2-propanediol | diol | 76.09 | 187 | 1.04 | 1.434 | |||||||||
859 |
S-(+)-1,2-propanediol | diol | 76.09 | 187 | 1.036 | 1.432 | |||||||||
860 |
1,3-propanediol | diol | 76.09 | 214 | -27 | 1.053 | 1.44 | ||||||||
861 |
1-propanol | alcohol | 60.1 | 97 | -127 | 0.804 | 1.384 | ||||||||
862 |
2-propanol | alcohol | 60.1 | 82 | -89.5 | 0.785 | 1.377 | ||||||||
863 |
propionaldehyde | aldehyde | 58.08 | 48 | -81 | 0.805 | 1.362 | ||||||||
864 |
propionamide | amide | 73.09 | 213 | -77.5 | 1.042 | 1.413 | ||||||||
865 |
propionic acid | carboxylic acid | 74.08 | 141 | -23.5 | 0.993 | 1.386 | ||||||||
866 |
propionitrile | nitrile | 55.08 | 97 | -93 | 0.772 | 1.366 | ||||||||
867 |
propiophenone | ketone (arom.) | 134.19 | 218 | 18 | 1.009 | 1.526 | ||||||||
868 |
propyl acetate | ester | 102.11 | 102 | -95 | 0.888 | 1.384 | ||||||||
869 |
propyl benzene | aromatic hydrocarbon | 120.19 | 159 | -99 | 0.862 | 1.491 | ||||||||
870 |
propyl benzoate | ester(arom.) | 164.2 | 229.5 | -52 | 1.026 | 1.501 | ||||||||
871 |
propyl butyrate | ester | 130.19 | 142.5 | -95 | 0.873 | 1.406 | ||||||||
872 |
propylene | alkene | 42.08 | -47.7 | -185 | 0.651 | 1.3567 | ||||||||
873 |
propylene glycol | diol | 76.09 | 187 | -60 | 1.036 | 1.432 | ||||||||
874 |
propyl formate | ester | 88.11 | 80.5 | -93 | 0.904 | 1.375 | ||||||||
875 |
propyne | alkyne | 40.07 | -23.2 | -102.7 | 0.645 | |||||||||
876 |
pyrazine | heterocycle (arom.) | 80.09 | 115.5 | 53 | 1.031 | 1.4953 | ||||||||
877 |
pyrazole | amine (heterocyclic arom.) | 68.08 | 187 | 68.5 | 0.989 | 1.4203 | ||||||||
878 |
pyrene | aromatic hydrocarbon | 202.28 | 404 | 146.5 | 1.27 | 1.5102 | ||||||||
879 |
pyridine | aromatic amine | 79.1 | 115 | -42 | 0.978 | 1.509 | ||||||||
880 |
pyridine N-oxide | aromatic heterocyclic oxide | 95.1 | 270 | 64.5 | 1.6118 | |||||||||
881 |
pyrimidine | heterocycle (arom.) | 80.09 | 123.5 | 20.5 | 1.016 | |||||||||
882 |
pyrrole | amine (heterocyclic arom.) | 67.09 | 131 | -23 | 0.967 | 1.508 | ||||||||
883 |
pyrrolidine | amine | 71.12 | 87.5 | -63 | 0.852 | 1.443 | ||||||||
884 |
pyruvic acid | keto acid | 88.06 | 165 | 11.5 | 1.267 | 1.428 | ||||||||
quinoline | heterocycle (arom.) | 129.18 | 113 | -15 | 1.093 | 1.625 | |||||||||
resorcinol | phenol | 110.1 | 178 | 110.5 | 1.272 | 1.5404 | |||||||||
887 |
13-cis-retinal | aldehyde (unsat.) | 284.44 | 371 | 78 | 1.055 | |||||||||
887 |
rhodamine-110 | aromatic salt (chloride) | 366.79 | >300 | |||||||||||
888 |
rhodamine-123 | aromatic salt (chloride) | 380.82 | 235 | |||||||||||
889 |
D-(-)-ribose | carbohydrate | 150.13 | 457 | 113 | ||||||||||
890 |
rose bengal | phenolic dye | 1017.64 | 300 | |||||||||||
saccharin | heterocyclic o -sulfobenzimide | 172.67 | 227.5 | 0.828 | 1.5878 | ||||||||||
892 |
safrole | benzodioxoles | 162.19 | 233 | 11.2 | 1.095 | 1.537 | ||||||||
893 |
salicylic acid | carboxylic acid (arom.) | 138.11 | 211 | 159.5 | 1.443 | 1.5204 | ||||||||
894 |
L-serine | amino acid | 105.1 | 259 | 228 (d) | 1.53 | |||||||||
895 |
stearic acid | carboxylic acid | 284.49 | 361 | 69.5 | 1.017 | 1.4299 | ||||||||
896 |
cis-stilbene | alkene (arom.) | 180.25 | 83 | 6 | 1.011 | 1.622 | ||||||||
897 |
trans-stilbene | alkene (arom.) | 180.25 | 306 (0.98 atm>) | 124 | 0.971 | 1.6230 | ||||||||
898 |
strychnine | indole alkaloid | 334.42 | 550 | 268 | 1.36 | |||||||||
899 |
styrene | alkene (arom.) | 114.18 | 145.5 | -31 | 0.909 | 1.546 | ||||||||
900 |
succinic acid | carboxylic acid | 118.1 | 235 | 185 | 1.19 | 1.4002 | ||||||||
901 |
sucrose | carbohydrate | 342.3 | 170 | 1.59 | 1.5376 | |||||||||
902 |
sulfanilimide | sulfonamide | 172.2 | 401 | 165 | 1.46 | 1.5897 | ||||||||
d-tartaric acid | carboxylic acid | 150.1 | 356 | 173 | 1.76 | 1.4955 | |||||||||
904 |
l-tartaric acid | carboxylic acid | 150.1 | 399 | 171 | 1.759 | 1.464 | ||||||||
905 |
terephthalic aicid | carboxylic acid (arom.) | 166.12 | 392 | 300 | 1.472 | |||||||||
906 |
o-terphenyl | aromatic hydrocarbon | 230.31 | 337 | 57.5 | 1.16 | 1.6421 | ||||||||
907 |
m-terphenyl | aromatic hydrocarbon | 230.31 | 379 | 86 | 1.195 | 1.65 | ||||||||
908 |
p-terphenyl | aromatic hydrocarbon | 230.31 | 389 | 212.5 | 1.234 | 1.65 | ||||||||
909 |
a-terpinene | diene | 136.23 | 175 | 61 | 0.837 | 1.478 | ||||||||
910 |
(-)-a-terpineol | alcohol | 154.25 | 224 | 18 | 0.937 | 1.484 | ||||||||
911 | b-terpineol | alcohol | 154.25 | 210 | 32.5 | 0.917 | 1.4747 | ||||||||
912 |
tetrazole | amine, nitrogen heterocycle | 247.53 | 220 | 156 | 1.529 | 1.348 | ||||||||
913 |
4-t-butylbenzoic acid | carboxylic acid (arom.) | 178.23 | 283 | 163.5 | 1.045 | |||||||||
914 | di-t-butyl ether | ether | 130.23 | 101 | -61.1 | 0.766 | 1.4331 | ||||||||
915 | testosterone | steroid | 288.42 | 433 | 155 | 1.1 | 1.560 | ||||||||
916 |
1,1,1,2-tetrachloroethane | alkyl halide | 167.87 | 138 | -68.1 | 1.598 | 1.4821 | ||||||||
917 |
tetrachloroethylene | alkenyl halide | 165.82 | 121 | -22 | 1.623 | 1.505 | ||||||||
918 |
tetrahydrofuran | ether | 72.11 | 66 | -108 | 0.889 | 1.407 | ||||||||
919 |
tetramethylsilane | organosilicon | 88.22 | 27 | -99 | 0.648 | 1.358 | ||||||||
920 |
tetraphenlycyclopentadieneone | ketone (arom.) | 384.47 | 218.5 | 1.233 | ||||||||||
921 |
thiophene | sulfur heterocycle | 84.14 | 84 | -38 | 1.051 | 1.529 | ||||||||
922 |
L-threonine | amino acid | 119.19 | 260 | 136 | 1.464 | |||||||||
923 |
thujone | ketone (bicyclic) | 152.24 | 170 | 0.925 | 1.455 | |||||||||
924 |
thymidine | pyrimidine nucleoside | 242.23 | 183 | 0.993 | ||||||||||
925 |
thymine | pyrimidine | 126.11 | 389 | 320 | 1.454 | |||||||||
926 |
thymol | phenol | 150.21 | 232 | 49.5 | 0.965 | 1.5227 | ||||||||
927 |
o-toluamide | amide (arom.) | 135.17 | 254 | 141.5 | 1.086 | |||||||||
928 |
m-toluamide | amide (arom.) | 135.17 | 95 | |||||||||||
929 |
p-toluamide | amide (arom.) | 135.17 | 275 | 162 | ||||||||||
930 |
toluene | aromatic hyrdrocarbon | 92.14 | 110.5 | -93 | 0.865 | 1.496 | ||||||||
931 |
o-toluic acid | carboxylic acid (arom.) | 136.13 | 285.5 | 103 | 1.062 | 1.5067 | ||||||||
932 |
m-toluic acid | carboxylic acid (arom.) | 136.13 | 263 | 110 | 1.054 | 1.5037 | ||||||||
933 |
p-toluic acid | carboxylic acid (arom.) | 136.13 | 274.5 | 178.5 | 1.06 | 1.5086 | ||||||||
934 |
o-toluidine | amine (arom.) | 107.18 | 199.5 | -28 | 1.004 | 1.572 | ||||||||
935 |
m-toluidine | amine (arom.) | 107.18 | 203.5 | -30 | 0.999 | 1.567 | ||||||||
936 |
p-toluidine | amine (arom.) | 107.18 | 200 | 43.5 | 0.973 | 1.5534 | ||||||||
937 |
o-tolunitrile | nitrile | 117.13 | 205 | -12 | 0.989 | 1.528 | ||||||||
938 |
m-tolunitrile | nitrile | 117.13 | 100 | -23 | 0.976 | 1.525 | ||||||||
939 |
p-tolunitrile | nitrile | 117.13 | 104.5 | 27 | 0.981 | 1.5281 | ||||||||
940 |
tributylamine | amine | 185.33 | 216 | -70 | 0.778 | 1.428 | ||||||||
941 |
trichloroacetic acid | carboxylic acid | 163.39 | 196 | 58 | 1.62 | 1.62 | ||||||||
942 |
2,4,6-trichloroaniline | amine (arom.) | 196.48 | 262 | 78.5 | ||||||||||
943 |
2,4,6-trichloroanisole | ether (arom.) | 211.49 | 132 | 61 | 1.64 | |||||||||
944 |
2,4,6-trichlorobenzoic acid | carboxylic acid (arom.) | 225.46 | 162 | |||||||||||
945 |
1,1,1-trichloroethane | alkyl halide | 133.41 | 75 | -35 | 1.336 | 1.437 | ||||||||
946 |
1,1,2-trichloroethane | alkyl halide | 133.41 | 112.5 | -35.5 | 1.435 | 1.471 | ||||||||
947 |
trichloroethylene | alkenyl halide | 131.39 | 86.7 | -84.8 | 1.463 | 1.476 | ||||||||
948 |
2,4,6-trichlorophenol | phenol | 197.43 | 246 | 65 | 1.49 | |||||||||
949 |
triethanolamine | amine | 149.19 | 191.5 | 19.4 | 1.124 | 1.485 | ||||||||
950 |
triethylamine | amine | 101.19 | 88.5 | -115 | 0.726 | 1.401 | ||||||||
951 |
triethyleneglycol | diol | 150.19 | 285 | -7 | 1.125 | 1.4529 | ||||||||
952 |
trifluoroacetic acid | carboxylic acid | 114.01 | 71.8 | -15 | 1.535 | 1.28 | ||||||||
953 |
trifluoromethane | alkyl halide | 70.01 | -84 | -160 | 1.246 | 1.215 | ||||||||
954 |
4-(trifluoromethyl)-benzophenone | ketone (arom.) | 250.22 | 115 | |||||||||||
955 |
1,3,5-trimethoxybenzene | ether (arom.) | 168.2 | 255 | 51.5 | ||||||||||
956 |
2,4,6-trimethylacetophenone | ketone (arom.) | 162.21 | 236 | 0.975 | 1.517 | |||||||||
957 |
trimethylamine | amine | 59.11 | 3.5 | -117 | 0.63 | |||||||||
958 |
2,4,6-trimethylaniline | amine (arom.) | 135.2 | 109 | -5 | 0.963 | 1.551 | ||||||||
959 |
2,4,6-trimethylbenzoic acid | carboxylic acid (arom.) | 164.2 | 298 | 153.5 | ||||||||||
960 |
2,4,4-trimethyl-1-pentene | alkene | 112.22 | 101.5 | -93.5 | 0.708 | 1.408 | ||||||||
961 |
2,4,4-trimethyl-2-pentene | alkene | 112.22 | 104 | -106.2 | 0.72 | 1.416 | ||||||||
962 |
trinitrobenzene | nitro (arom.) | 213.11 | 315 | 110 | 1.69 | |||||||||
963 |
2,4,6-trinitrotoluene | nitro (arom.) | 227.13 | 339 | 80.9 | 1.654 | |||||||||
964 |
1,3,5-trioxane | heterocycle | 90.08 | 114.5 | 60.5 | 1.17 | |||||||||
965 |
triphenylacetic acid | carbocylic acid (arom.) | 288.33 | 437 | 271.5 | 1.27 | |||||||||
966 |
triphenylamine | amine (arom.) | 245.33 | 302 | 51.5 | 1.165 | 1.6189 | ||||||||
967 |
triphenylene | aromatic hydrocarbon | 228.3 | 438 | 196.5 | 1.302 | |||||||||
968 |
triphenylethylene | alkene (arom.) | 256.33 | 358 | 70 | 1.037 | 1.6292 | ||||||||
969 |
triphenylmethane | aromatic hydrocarbon | 244.32 | 358.5 | 93 | 1.014 | 1.5955 | ||||||||
970 |
triphenylmethanol | alcohol (arom.) | 260.32 | 360 | 161.5 | 1.188 | |||||||||
971 |
tripropylamine | amine | 143.29 | 156.5 | -93.5 | 0.753 | 1.416 | ||||||||
972 |
tryptycene | aromatic hydrocarbon | 254.33 | 253 | 1.227 | ||||||||||
973 |
tristearin | ester | 891.5 | 813 | 73 | 1.0577 | 1.4477 | ||||||||
974 |
L-(-)-tryptophan | amino acid | 204.23 | 290 | 1.34 | ||||||||||
975 |
L-tryrosine | amino acid | 180.19 | 351 | 300 | 1.41 | |||||||||
undecane | alkane | 156.31 | 196 | -26 | 0.74 | 1.417 | |||||||||
977 |
uracil | pyrimidine | 112.09 | 379 | 300 | 0.9917 | |||||||||
978 |
urea | amide | 60.06 | 332.5 | 135 | 1.335 | 1.40 | ||||||||
valeraldehyde | aldehyde | 86.13 | 102.5 | 92 | 0.81 | 1.394 | |||||||||
980 |
valerophenone | ketone (arom.) | 162.23 | 244.5 | -9 | 0.975 | 1.514 | ||||||||
981 |
L-valine | amino acid | 117.15 | 217 | 86 | 1.284 | |||||||||
982 |
vanillin | aldehyde (phenolic) | 152.15 | 170 | 82 | 1.056 | 1.555 | ||||||||
983 |
o-vanillin | aldehyde (phenolic) | 152.15 | 265.5 | 41 | 1.204 | 1.5632 | ||||||||
984 |
vinyl bromide | alkenyl halide | 106.95 | 15.8 | -139.5 | 0.927 | 1.4462 | ||||||||
985 |
vinyl chloride | alkenyl halide | 62.5 | -13.4 | -153.8 | 0.911 | 1.3700 | ||||||||
986 |
vitamin A | retinoid | 286.42 | 421 | 66 | 1.641 | |||||||||
987 |
vitamin B1 | heterocycle (arom.) | 300.8 | 129 | 1.43 | ||||||||||
088 |
vitamin B12 | porphyrin coordination cmpd. with Co | 1359.4 | >300 | |||||||||||
989 |
vitamin C | vitamin | 176.12 | 553 | 192 | 1.694 | |||||||||
990 |
vitamin D2 | secosteroids | 396.66 | 116 | |||||||||||
991 |
vitamin E | phenol | 430.72 | 486 | 3 | 0.95 | 1.495 | ||||||||
992 |
vitamin K | ketone (arom.) | 450.70 | 142.5 | -20 | 0.967 | 1.5263 | ||||||||
warfarin | homoisoflavone | 308.33 | 515 | 163 | |||||||||||
994 |
water | inorganic | 18.05 | 100 | 0 | 0.998 | 1.333 | ||||||||
xanthene | aromatic | 182.22 | 311 | 101 | |||||||||||
996 |
xanthone | ketone (arom.) | 196.21 | 349 | 174 | ||||||||||
997 |
o-xylene | aromatic hydrocarbon | 106.16 | 144 | -24.5 | 0.879 | 1.505 | ||||||||
998 |
m-xylene | aromatic hydrocarbon | 106.16 | 138.5 | -48 | 0.868 | 1.497 | ||||||||
999 |
p-xylene | aromatic hydrocarbon | 106.16 | 138 | 12.5 | 0.861 | 1.495 | ||||||||
1000 |
D-xylose | carbohydrate | 150.13 | 110 | 1.545 | ||||||||||
1001 | Compound | Functional Group | Molecular Mass | bp | mp | density | refractive index |
J. Spectra |
A.
Elements - Periodic Tables -
WebElements -
http://www.webelements.com/
http://murov.info/periodictables.htm
http://murov.info/pertabtrends.htm
http://murov.info/pertabtrends.pptx
Directory
of Periodic Tables -
https://www.meta-synthesis.com/webbook/35_pt/pt_database.php?Button=All
http://murov.info/periodictables.htm
Periodic table with history of elements -
http://elements.vanderkrogt.net/
Chronology of the development of
the periodic table - http://murov.info/timelines.htm
History of elements and periodic
table -
http://www.chem.unt.edu/~jimm/REDISCOVERY%207-09-2018/
Properties of the elements - http://www.knowledgedoor.com/
1. Tabulation
Murov -
http://murov.info/orgcmpds.htm
WolframAlpha -
http://www.wolframalpha.com/
Chemical Book -
http://www.chemicalbook.com/
ChemBK -
https://www.chembk.com/en
Chemidplus -
https://chem.nlm.nih.gov/chemidplus/
https://chem.nlm.nih.gov/chemidplus/chemidlite.jsp
Stenutz -
http://www.stenutz.eu/chem/search.php
Knovel Critical Tables (If using Explorer, it must be
newest version)
(21824 compounds in sortable tables)
- login required -
initial registration or login:
https://app.knovel.com/web/register.v
already registered login:
click on or copy and paste:
https://app.knovel.com/web/view/itable/show.v/rcid:kpKCTE000X/cid:kt002VLXT1/viewerType:itble/
To filter the listing, click on the triangle
following the desirred parameter, select filter and then enter the limits of the
desired parameter (<, > or =) and hit enter.
(7274 Compounds in sortable tables) -
https://app.knovel.com/web/view/itable/show.v/rcid:kpKS000009/cid:kt00395F16/viewerType:itble/
ChemSynthesis -
https://www.chemsynthesis.com/
Kaye and Laby - organic -https://web.archive.org/web/20190519191800/http://www.kayelaby.npl.co.uk/chemistry/3_3/3_3.html
inorganic -
https://web.archive.org/web/20190502165701/http://www.kayelaby.npl.co.uk/chemistry/3_2/3_2.html
Chemland 21 -
http://www.chemicalland21.com/listaz01.htm
Chemblink
http://www.chemblink.com/
ChemSRC - https://www.chemsrc.com/en/
LookChem -
http://www.lookchem.com/
Human Metabolome
Database
-
http://www.hmdb.ca/
EPA -
https://chemview.epa.gov/chemview
https://www.epa.gov/saferchoice
MolBase - http://www.molbase.com/
PubChem -
https://pubchem.ncbi.nlm.nih.gov/
Osha -
https://www.osha.gov/chemicaldata/
Shriner, et.al,
Systematic Identification of Organic Compounds, manual
for identifying organic compounds especially with the use of derivatives,
includes tables of common organic compounds with melting or boiling points and
melting points of derivatives in tables at back.
https://celqusb.files.wordpress.com/2018/04/kupdf-com_systematic-identification-of-organic-compounds-wiley-shrinerhermannmorrillcurtinfuson.pdf
2. Tabulation + MSDS
Acros, Fisher -
https://www.fishersci.com/us/en/brands/I9C8LQ1I/acros-organics.html
Alpha Chemical
-
https://www.alfa.com/en/chemicals/
ChemExper Chem. Directory
-
http://www.chemexper.com/
Chemidplus -
https://chem.nlm.nih.gov/chemidplus/
https://chem.nlm.nih.gov/chemidplus/chemidlite.jsp
Chemindex -
http://ccinfoweb.ccohs.ca/chemindex/search.html
Chemspider - http://www.chemspider.com/
http://www.chemspider.com/SimpleSearch.aspx
EMD Chemicals -
http://www.emdmillipore.com/US/en/documents/Z.qb.qB.tecAAAFDDJUsznLq,nav
TCI America -
http://www.tcichemicals.com/en/us/support-download/brochure/catalog.html
Wikipedia -
https://en.wikipedia.org/wiki/Dictionary_of_chemical_formulas
https://en.wikipedia.org/wiki/List_of_inorganic_compounds
Chemical
Book
-
http://www.chemicalbook.com/
3.
MSDS or SDS
Aldrich, Sigma,-
https://www.sigmaaldrich.com/united-states.html
MSDS Solutions -
http://www.msds.com/
Vermont Safety Information Resources,
Inc. - http://hazard.com/msds/
MSDSprovider -
http://www.msdsprovider.com/
MSDS online -
https://www.msdsonline.com/
MSDS digital -
https://www.msdsdigital.com/msds-database
Fisher -
https://www.fishersci.com/us/en/catalog/search/sdshome.html
EHSO -
http://ehso.com/msds-sds.php
C. Search for Compounds from Properties
Aldrich -
http://www.sigmaaldrich.com/catalog/search/substructure/OldSubstructureSearchPage
accepts -
formula, structure,
molecular mass, mp, bp, density
ChemExper Chem Directory - http://www.chemexper.com/advanced_search.shtml
accepts - formula, structure,
molecular mass, bp, mp, refractive index, density, ir, nmr
ChemNet Data Base http://poc.chemnetbase.com/faces/chemical/ChemicalSearch.xhtml
accepts formula, melting point, boiling point
Chemspider -
http://www.chemspider.com/FullSearch.aspx
accepts - formula, molecular mass
Melting point and molecular mass search:
https://chem.nlm.nih.gov/chemidplus/
accepts - formula, mp,
bp
Murov -
http://murov.info/orgcmpds.htm
search by molecular mass, bp, mp, density, refractiive index
Organic Chemistry Data Base -
http://www.colby.edu/chemistry/cmp/cmp.html
accepts -
formula,
molecular mass, mp, bp, density, refractive index, ir, ms
NIMC site -
http://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
accepts -
formula, molecular
mass, ir, nmr, ms
Polymers -
http://www.matweb.com/search/PropertySearch.aspx
Knovel
Critical Tables (If using Explorer, it must be newest version)
(21824 compounds in sortable tables)
- login required -
initial registration or login:
https://app.knovel.com/web/register.v
already registered login:
click on or copy and paste:
https://app.knovel.com/web/view/itable/show.v/rcid:kpKCTE000X/cid:kt002VLXT1/viewerType:itble/
To filter the listing, click on the triangle
following the desirred parameter, select filter and then enter the limits of the
desired parameter (<, > or =) and hit enter.
(7274 Compounds in sortable tables) -
https://app.knovel.com/web/view/itable/show.v/rcid:kpKS000009/cid:kt00395F16/viewerType:itble/
D. Solvent Properties
http://murov.info/orgsolvents.htm
http://murov.info/orgsolvsort.htm
https://www.organicdivision.org/ama/orig/organic_solvents.html
http://www.wiredchemist.com/chemistry/data/physical_character_solvents.html
https://www2.chemistry.msu.edu/faculty/reusch/OrgPage/solvent.htm
https://en.wikipedia.org/wiki/Solvent
https://www.ch.ic.ac.uk/williams/Solvent%20properties.pdf
Knovel Critical Tables (If using
Explorer, it must be newest version)
(21824 compounds in sortable tables)
- login required -
initial registration or login:
https://app.knovel.com/web/register.v
already registered login:
click on or copy and paste:
https://app.knovel.com/web/view/itable/show.v/rcid:kpKCTE000X/cid:kt002VLY34/viewerType:itble/
To filter the listing, click on the triangle
following the desirred parameter, select filter and then enter the limits of the
desired parameter (<, > or =) and hit enter.
ChemSynthesis -
https://www.chemsynthesis.com/
nmr of deuterated solvents
http://www.wiredchemist.com/chemistry/data/common_nmr_solvents.html
http://www2.chem.umd.edu/nmr/reference/isotope_solvent.pdf
E. Chemical Education Journals
J.
Chem. Ed.
-
http://pubs.acs.org/journal/jceda8
http://pubs.acs.org/loi/jceda8
Education in Chemistry -
http://www.rsc.org/eic/
http://www.rsc.org/eic/e-magazine
Chem13 News -
https://uwaterloo.ca/chem13-news-magazine/
F. Chemistry
Directory -
http://murov.info/webercises.htm
G. Organic Chemistry Directory -
https://organicchemistrydata.org/
http://murov.info/orgchem.htm
H. Reaction-Map of Organic
Chemistry -
http://murov.info/Reaction-Map.htm
Exercise based on the above -
http://murov.info/orgchemrxnexe.htm
I.
Literature search -
http://www.researchgate.net/
J. Spectra
1. IR - Liquid or Solution
NIMC site -
http://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi
NIST site -
http://webbook.nist.gov/chemistry/
PSLC -
http://pslc.uwsp.edu/
Aldrich, Sigma -
https://www.sigmaaldrich.com/united-states.html
Gasmet -
https://www.gasmet.com/de/products/tools/spectrum-library/
2. IR - Gas Phase
NIST -
http://webbook.nist.gov/chemistry/
Gasmet -
https://www.gasmet.com/de/products/tools/spectrum-library/
3.. HNMR - Experimental
NIMC site -
http://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
PSLC -
http://pslc.uwsp.edu/
Aldrich, Sigma -
https://www.sigmaaldrich.com/united-states.html
Solvents -
http://www2.chem.umd.edu/nmr/reference/isotope_solvent.pdf
Deuterated solvents -
http://www.wiredchemist.com/chemistry/data/common_nmr_solvents.html
bioorganics -
http://mmcd.nmrfam.wisc.edu/mmcdbrowse.html
4. HNMR - Calculated
ChemExper Chem Directory -
http://www.chemexper.com/
nmrdb - http://www.nmrdb.org/
5.
13CNMR -
Experimental
NIMC site -
http://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
PSLC -
http://pslc.uwsp.edu/
6. Mass
NIMC site -
http://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
PSLC -
http://pslc.uwsp.edu/
Pherobase -
http://www.pherobase.com/database/compound/compounds-index.php
human metabolites -
http://www.hmdb.ca/
7. UV-Vis
NIST site -
http://webbook.nist.gov/chemistry/
OMLC -
http://omlc.org/spectra/PhotochemCAD/html/alpha.html
8. Bibliography -
http://library.buffalo.edu/libraries/asl/guides/spectra.html
9. Polymer spectra - http://pslc.uwsp.edu/
10. Photophysical properties of organic compounds - http://murov.info/photophys.htm
11. Fee based KnowItAll spectral database - https://sciencesolutions.wiley.com/knowitall-u/
1.
Acid Base Indicator properties
https://www.compoundchem.com/2014/04/04/the-colours-chemistry-of-ph-indicators/
https://en.wikipedia.org/wiki/PH_indicator
https://www.sciencecompany.com/ph_indicator_ranges.aspx
https://www.thoughtco.com/edible-ph-indicators-color-chart-603655
https://www.techknow.org.uk/wiki/index.php?title=PH
http://foundoutaboutchemistry.blogspot.com/2016/05/acid-base-indicator-charts.html
2.
Electronegativities
http://www.meta-synthesis.com/webbook/36_eneg/electroneg.html
https://periodictable.me/electronegativity-chart/
3. pKa values
https://www2.chem.wisc.edu/areas/reich/pkatable/index.htm
http://www.wiredchemist.com/chemistry/data/acid_constants.html
http://www.wiredchemist.com/chemistry/data/base_constants.html
http://www.zirchrom.com/organic.htm
http://ccc.chem.pitt.edu/wipf/MechOMs/evans_pKa_table.pdf
4. Hammett constants
http://www.wiredchemist.com/chemistry/data/hammett_sigma_constants.html
http://old.iupac.org/publications/pac/1997/pdf/6912x2497.pdf
M. Virtual Textbooks of Organic Chemistry -
Master Organic
Chemistry - An Online Organic Chemistry Resource
https://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/intro1.htm
https://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/intro1a.htm
http://www.chemthes.com/rxn-type.php
https://www.chemguide.co.uk/orgpropsmenu.html
https://chem.libretexts.org/Bookshelves/Organic_Chemistry/Supplemental_Modules_(Organic_Chemistry)
https://en.wikibooks.org/wiki/Organic_Chemistry
https://www.stolaf.edu/depts/chemistry/courses/toolkits/247/
lab book - http://murov.info/orglab.htm
Last update on 9/1/20. Hit counters started on 8/20/20