Chemical Properties of (Phenylthio)acetic acid, 2-ethylcyclohexyl ester

(Phenylthio)acetic acid, 2-ethylcyclohexyl ester

InChI
InChI=1S/C16H22O2S/c1-2-13-8-6-7-11-15(13)18-16(17)12-19-14-9-4-3-5-10-14/h3-5,9-10,13,15H,2,6-8,11-12H2,1H3
InChI Key
ZPOLETLEMOLZDN-UHFFFAOYSA-N
Formula
C16H22O2S
SMILES
CCC1CCCCC1OC(=O)CSc1ccccc1
Molecular Weight1
278.41
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Physical Properties

Property Value Unit Source
Δfus 32.64 kJ/mol Joback Calculated Property
logPoct/wat 4.291 Crippen Calculated Property
McVol 225.470 ml/mol McGowan Calculated Property
Inp [2052.00; 2052.00]   Show Hide
Inp 2052.00 NIST
Inp 2052.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [652.32; 745.95] J/mol×K [734.24; 973.98] Show Hide
Cp,gas 652.32 J/mol×K 734.24 Joback Calculated Property
Cp,gas 672.05 J/mol×K 774.20 Joback Calculated Property
Cp,gas 690.08 J/mol×K 814.15 Joback Calculated Property
Cp,gas 706.44 J/mol×K 854.11 Joback Calculated Property
Cp,gas 721.18 J/mol×K 894.07 Joback Calculated Property
Cp,gas 734.34 J/mol×K 934.02 Joback Calculated Property
Cp,gas 745.95 J/mol×K 973.98 Joback Calculated Property

Similar Compounds

(Phenylthio)acetic acid, 1-cyclopentylethyl ester. (Phenylthio)acetic acid, 5-tetradecyl ester. (Phenylthio)acetic acid, 5-tridecyl ester. (Phenylthio)acetic acid, 4-hexadecyl ester. (Phenylthio)acetic acid, 4-tridecyl ester. (Phenylthio)acetic acid, 3-tridecyl ester. (Phenylthio)acetic acid, 3-pentadecyl ester. (Phenylthio)acetic acid, cyclohexyl ester. (Phenylthio)acetic acid, cyclopentyl ester. (Phenylthio)acetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. (Phenylthio)acetic acid, 2-methyloct-5-yn-4-yl ester. (Phenylthio)acetic acid, 1-adamantylmethyl ester. (Phenylthio)acetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. (Phenylthio)acetic acid, 2-(1-adamantyl)ethyl ester. Glutaric acid, 2-methylhex-3-yl 2-(methylthio)phenyl ester.

Find more compounds similar to (Phenylthio)acetic acid, 2-ethylcyclohexyl ester.

Sources

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