Chemical Properties of Carbamic acid, n-(2-cyanoethyl)-, phenylmethyl ester (CAS 18877-96-8)

InChI

InChI=1S/C11H12N2O2/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,13,14)

InChI Key

KTPATXCSHZCTMY-UHFFFAOYSA-N

Formula

C11H12N2O2

SMILES

N#CCCNC(=O)OCc1ccccc1

Molecular Weight¹

204.23

CAS

18877-96-8

• 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	[419.89; 476.55]	J/mol×K	[706.30; 928.33]
Cp,gas	419.89	J/mol×K	706.30	Joback Calculated Property
Cp,gas	431.32	J/mol×K	743.31	Joback Calculated Property
Cp,gas	441.92	J/mol×K	780.31	Joback Calculated Property
Cp,gas	451.72	J/mol×K	817.32	Joback Calculated Property
Cp,gas	460.74	J/mol×K	854.32	Joback Calculated Property
Cp,gas	469.01	J/mol×K	891.33	Joback Calculated Property
Cp,gas	476.55	J/mol×K	928.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbamic acid, n-(2-cyanoethyl)-, phenylmethyl ester.

Sources

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

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