Chemical Properties of Rhodanine, 5-benzylidene (CAS 3806-42-6)

InChI

InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6-

InChI Key

OONWCXLYKDWKOU-VURMDHGXSA-N

Formula

C10H7NOS2

SMILES

OC1=NC(=S)SC1=Cc1ccccc1

Molecular Weight¹

221.30

CAS

3806-42-6

• 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	[372.14; 418.48]	J/mol×K	[751.96; 1014.54]
Cp,gas	372.14	J/mol×K	751.96	Joback Calculated Property
Cp,gas	381.64	J/mol×K	795.72	Joback Calculated Property
Cp,gas	390.30	J/mol×K	839.49	Joback Calculated Property
Cp,gas	398.22	J/mol×K	883.25	Joback Calculated Property
Cp,gas	405.49	J/mol×K	927.02	Joback Calculated Property
Cp,gas	412.21	J/mol×K	970.78	Joback Calculated Property
Cp,gas	418.48	J/mol×K	1014.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Rhodanine, 5-benzylidene.

Sources

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

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