Chemical Properties of (Phenylthio)acetic acid, 5-tetradecyl ester

InChI

InChI=1S/C22H36O2S/c1-3-5-7-8-9-10-12-16-20(15-6-4-2)24-22(23)19-25-21-17-13-11-14-18-21/h11,13-14,17-18,20H,3-10,12,15-16,19H2,1-2H3

InChI Key

BJFWQIFXNVNCED-UHFFFAOYSA-N

Formula

C22H36O2S

SMILES

CCCCCCCCCC(CCCC)OC(=O)CSc1ccccc1

Molecular Weight¹

364.59

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1004.35; 1092.61]	J/mol×K	[856.20; 1060.14]
Cp,gas	1004.35	J/mol×K	856.20	Joback Calculated Property
Cp,gas	1022.16	J/mol×K	890.19	Joback Calculated Property
Cp,gas	1038.67	J/mol×K	924.18	Joback Calculated Property
Cp,gas	1053.93	J/mol×K	958.17	Joback Calculated Property
Cp,gas	1067.97	J/mol×K	992.16	Joback Calculated Property
Cp,gas	1080.85	J/mol×K	1026.15	Joback Calculated Property
Cp,gas	1092.61	J/mol×K	1060.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Phenylthio)acetic acid, 5-tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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