Chemical Properties of 5-Vanillylidene rhodanine (CAS 5447-37-0)

InChI

InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)/b9-5+

InChI Key

OWXPWWRBBBGOLO-WEVVVXLNSA-N

Formula

C11H9NO3S2

SMILES

COc1cc(C=C2SC(=S)NC2=O)ccc1O

Molecular Weight¹

267.32

CAS

5447-37-0

• 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	[464.18; 524.02]	J/mol×K	[849.21; 1136.18]
Cp,gas	464.18	J/mol×K	849.21	Joback Calculated Property
Cp,gas	475.30	J/mol×K	897.04	Joback Calculated Property
Cp,gas	485.80	J/mol×K	944.87	Joback Calculated Property
Cp,gas	495.80	J/mol×K	992.69	Joback Calculated Property
Cp,gas	505.42	J/mol×K	1040.52	Joback Calculated Property
Cp,gas	514.79	J/mol×K	1088.35	Joback Calculated Property
Cp,gas	524.02	J/mol×K	1136.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Vanillylidene rhodanine.

Sources

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

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