Chemical Properties of Ethaneperoxoic acid, 1-cyano-1-(2-methylphenyl)ethyl ester (CAS 58422-67-6)

InChI

InChI=1S/C12H13NO3/c1-9-6-4-5-7-11(9)12(3,8-13)16-15-10(2)14/h4-7H,1-3H3

InChI Key

FFROOMNADSGFIK-UHFFFAOYSA-N

Formula

C12H13NO3

SMILES

CC(=O)OOC(C)(C#N)c1ccccc1C

Molecular Weight¹

219.24

CAS

58422-67-6

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	[447.95; 508.71]	J/mol×K	[703.18; 932.78]
Cp,gas	447.95	J/mol×K	703.18	Joback Calculated Property
Cp,gas	460.31	J/mol×K	741.45	Joback Calculated Property
Cp,gas	471.74	J/mol×K	779.71	Joback Calculated Property
Cp,gas	482.27	J/mol×K	817.98	Joback Calculated Property
Cp,gas	491.92	J/mol×K	856.25	Joback Calculated Property
Cp,gas	500.73	J/mol×K	894.51	Joback Calculated Property
Cp,gas	508.71	J/mol×K	932.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethaneperoxoic acid, 1-cyano-1-(2-methylphenyl)ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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