Chemical Properties of 2-Propenethioamide, 2-cyano-3-(3-methoxyphenyl)- (CAS 137451-60-6)

InChI

InChI=1S/C11H10N2OS/c1-14-10-4-2-8(3-5-10)6-9(7-12)11(13)15/h2-6H,1H3,(H2,13,15)/b9-6+

InChI Key

NSDYZWFBGUGNTC-RMKNXTFCSA-N

Formula

C11H10N2OS

SMILES

COc1ccc(C=C(C#N)C(=N)S)cc1

Molecular Weight¹

218.28

CAS

137451-60-6

• 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_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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[83.08; 414.56]	J/mol×K	[100.12; 758.48]
Cp,gas	83.08	J/mol×K	100.12	Joback Calculated Property
Cp,gas	83.08	J/mol×K	100.12	Joback Calculated Property
Cp,gas	83.08	J/mol×K	100.12	Joback Calculated Property
Cp,gas	83.08	J/mol×K	100.12	Joback Calculated Property
Cp,gas	83.08	J/mol×K	100.12	Joback Calculated Property
Cp,gas	83.08	J/mol×K	100.12	Joback Calculated Property
Cp,gas	414.56	J/mol×K	758.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenethioamide, 2-cyano-3-(3-methoxyphenyl)-.

Sources

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

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