Chemical Properties of (Phenylthio)acetic acid, 1-cyclopentylethyl ester

(Phenylthio)acetic acid, 1-cyclopentylethyl ester

InChI
InChI=1S/C15H20O2S/c1-12(13-7-5-6-8-13)17-15(16)11-18-14-9-3-2-4-10-14/h2-4,9-10,12-13H,5-8,11H2,1H3
InChI Key
FSWCJCGGAHDFEM-UHFFFAOYSA-N
Formula
C15H20O2S
SMILES
CC(OC(=O)CSc1ccccc1)C1CCCC1
Molecular Weight1
264.38
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Physical Properties

Property Value Unit Source
Δfus 27.56 kJ/mol Joback Calculated Property
logPoct/wat 3.901 Crippen Calculated Property
McVol 211.380 ml/mol McGowan Calculated Property
Inp [1977.00; 1977.00]   Show Hide
Inp 1977.00 NIST
Inp 1977.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [591.77; 681.59] J/mol×K [711.32; 953.18] Show Hide
Cp,gas 591.77 J/mol×K 711.32 Joback Calculated Property
Cp,gas 610.51 J/mol×K 751.63 Joback Calculated Property
Cp,gas 627.66 J/mol×K 791.94 Joback Calculated Property
Cp,gas 643.29 J/mol×K 832.25 Joback Calculated Property
Cp,gas 657.45 J/mol×K 872.56 Joback Calculated Property
Cp,gas 670.19 J/mol×K 912.87 Joback Calculated Property
Cp,gas 681.59 J/mol×K 953.18 Joback Calculated Property

Similar Compounds

(Phenylthio)acetic acid, 2-ethylcyclohexyl ester. (Phenylthio)acetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. (Phenylthio)acetic acid, 4-hexadecyl ester. (Phenylthio)acetic acid, 5-tetradecyl ester. (Phenylthio)acetic acid, 5-tridecyl 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-methyloct-5-yn-4-yl ester. (Phenylthio)acetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. (Phenylthio)acetic acid, 1-adamantylmethyl 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, 1-cyclopentylethyl ester.

Sources

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