Chemical Properties of Rhodanine, 5-p-methoxybenzylidene- (CAS 5462-97-5)

InChI

InChI=1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6+

InChI Key

ORGCJYCWFZQEFX-RMKNXTFCSA-N

Formula

C11H9NO2S2

SMILES

COc1ccc(C=C2SC(=S)NC2=O)cc1

Molecular Weight¹

251.32

CAS

5462-97-5

• 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	[424.77; 482.71]	J/mol×K	[768.59; 1051.91]
Cp,gas	424.77	J/mol×K	768.59	Joback Calculated Property
Cp,gas	437.12	J/mol×K	815.81	Joback Calculated Property
Cp,gas	448.34	J/mol×K	863.03	Joback Calculated Property
Cp,gas	458.48	J/mol×K	910.25	Joback Calculated Property
Cp,gas	467.56	J/mol×K	957.47	Joback Calculated Property
Cp,gas	475.63	J/mol×K	1004.69	Joback Calculated Property
Cp,gas	482.71	J/mol×K	1051.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Rhodanine, 5-p-methoxybenzylidene-.

Sources

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

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