Chemical Properties of (Phenylthio)acetic acid, phenylmethyl ester

InChI

InChI=1S/C15H14O2S/c16-15(12-18-14-9-5-2-6-10-14)17-11-13-7-3-1-4-8-13/h1-10H,11-12H2

InChI Key

HFNGWLVGBRAPAH-UHFFFAOYSA-N

Formula

C15H14O2S

SMILES

O=C(CSc1ccccc1)OCc1ccccc1

Molecular Weight¹

258.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.65; 589.18]	J/mol×K	[741.03; 994.27]
Cp,gas	519.65	J/mol×K	741.03	Joback Calculated Property
Cp,gas	534.49	J/mol×K	783.24	Joback Calculated Property
Cp,gas	547.95	J/mol×K	825.44	Joback Calculated Property
Cp,gas	560.10	J/mol×K	867.65	Joback Calculated Property
Cp,gas	570.98	J/mol×K	909.85	Joback Calculated Property
Cp,gas	580.65	J/mol×K	952.06	Joback Calculated Property
Cp,gas	589.18	J/mol×K	994.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Phenylthio)acetic acid, phenylmethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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