Chemical Properties of 3-(2-Naphthylthio)propionic acid (CAS 1141-45-3)

InChI

InChI=1S/C13H12O2S/c14-13(15)7-8-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,14,15)

InChI Key

XMQJAJQNGNSZFY-UHFFFAOYSA-N

Formula

C13H12O2S

SMILES

O=C(O)CCSc1ccc2ccccc2c1

Molecular Weight¹

232.30

CAS

1141-45-3

• 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).
• 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	[457.27; 510.54]	J/mol×K	[762.31; 992.29]
Cp,gas	457.27	J/mol×K	762.31	Joback Calculated Property
Cp,gas	467.98	J/mol×K	800.64	Joback Calculated Property
Cp,gas	477.86	J/mol×K	838.97	Joback Calculated Property
Cp,gas	487.00	J/mol×K	877.30	Joback Calculated Property
Cp,gas	495.44	J/mol×K	915.63	Joback Calculated Property
Cp,gas	503.27	J/mol×K	953.96	Joback Calculated Property
Cp,gas	510.54	J/mol×K	992.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(2-Naphthylthio)propionic acid.

Sources

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

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