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

InChI

InChI=1S/C21H34O2S/c1-3-5-7-8-9-11-15-19(14-6-4-2)23-21(22)18-24-20-16-12-10-13-17-20/h10,12-13,16-17,19H,3-9,11,14-15,18H2,1-2H3

InChI Key

IVJYMRIBCBWQBO-UHFFFAOYSA-N

Formula

C21H34O2S

SMILES

CCCCCCCCC(CCCC)OC(=O)CSc1ccccc1

Molecular Weight¹

350.57

• 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	[944.24; 1032.32]	J/mol×K	[833.32; 1036.92]
Cp,gas	944.24	J/mol×K	833.32	Joback Calculated Property
Cp,gas	961.96	J/mol×K	867.25	Joback Calculated Property
Cp,gas	978.41	J/mol×K	901.19	Joback Calculated Property
Cp,gas	993.63	J/mol×K	935.12	Joback Calculated Property
Cp,gas	1007.66	J/mol×K	969.05	Joback Calculated Property
Cp,gas	1020.54	J/mol×K	1002.99	Joback Calculated Property
Cp,gas	1032.32	J/mol×K	1036.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Phenylthio)acetic acid, 5-tridecyl 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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