Properties of Common Organic Compounds - Sortable

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. 

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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     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
Mass (g/mol)

bp
(°C)
mp
(°C)

density
(g/mL)

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 propionateester 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 acidcarboxylic 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  
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 1.5921
      538 2-ethoxynaphthalene ether (arom.) 172.23 282 36 1.064 1.593
539
ethyl acetate ester 88.105 77 -84 0.902 1.5901
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
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  
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
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  
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
A.  Elements - Periodic Tables

B. Compounds - Properties

C. Search for Compounds from Properties

D. Solvent Properties

E.  Chemical Education Journals

F. Chemistry Directory

H. Reaction-Map of Organic Chemistry

I.  Literature search

J. Spectra

K. Miscellaneous

M.  Virtual Textbooks of Organic Chemistry
 

 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/ 

 B. Compounds - Properties  

      
 
        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: 
https://app.knovel.com/web/login.v ,

                  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: 
https://app.knovel.com/web/login.v ,

                  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.stenutz.eu/chem/


        http://www.wiredchemist.com/chemistry/data/physical_character_solvents.html 


       
https://www2.chemistry.msu.edu/faculty/reusch/OrgPage/solvent.htm


        https://www.sigmaaldrich.com/chemistry/stockroom-reagents/learning-center/technical-library/solvent-properties.html


        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: 
https://app.knovel.com/web/login.v ,

                  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/

 

   K.  Miscellaneous

         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

 

 

  

 

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