Chemical Properties of (Phenylthio)acetic acid, 3-pentadecyl ester

InChI

InChI=1S/C23H38O2S/c1-3-5-6-7-8-9-10-11-12-14-17-21(4-2)25-23(24)20-26-22-18-15-13-16-19-22/h13,15-16,18-19,21H,3-12,14,17,20H2,1-2H3

InChI Key

NURUGLLITAETTA-UHFFFAOYSA-N

Formula

C23H38O2S

SMILES

CCCCCCCCCCCCC(CC)OC(=O)CSc1ccccc1

Molecular Weight¹

378.62

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[1065.14; 1153.55]	J/mol×K	[879.08; 1084.09]
Cp,gas	1065.14	J/mol×K	879.08	Joback Calculated Property
Cp,gas	1083.04	J/mol×K	913.25	Joback Calculated Property
Cp,gas	1099.62	J/mol×K	947.42	Joback Calculated Property
Cp,gas	1114.91	J/mol×K	981.58	Joback Calculated Property
Cp,gas	1128.96	J/mol×K	1015.75	Joback Calculated Property
Cp,gas	1141.82	J/mol×K	1049.92	Joback Calculated Property
Cp,gas	1153.55	J/mol×K	1084.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Phenylthio)acetic acid, 3-pentadecyl 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

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