Chemical Properties of 2-Phenylbenzo-1,4-thiazane-3-one (CAS 38533-19-6)

InChI

InChI=1S/C14H11NOS/c16-14-13(10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)15-14/h1-9,13H,(H,15,16)

InChI Key

DLALSZUJBMNOHZ-UHFFFAOYSA-N

Formula

C14H11NOS

SMILES

O=C1Nc2ccccc2SC1c1ccccc1

Molecular Weight¹

241.31

CAS

38533-19-6

• 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	[474.15; 547.77]	J/mol×K	[753.27; 1045.45]
Cp,gas	474.15	J/mol×K	753.27	Joback Calculated Property
Cp,gas	490.27	J/mol×K	801.97	Joback Calculated Property
Cp,gas	504.75	J/mol×K	850.66	Joback Calculated Property
Cp,gas	517.66	J/mol×K	899.36	Joback Calculated Property
Cp,gas	529.08	J/mol×K	948.06	Joback Calculated Property
Cp,gas	539.09	J/mol×K	996.76	Joback Calculated Property
Cp,gas	547.77	J/mol×K	1045.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Phenylbenzo-1,4-thiazane-3-one.

Sources

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

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