Chemical Properties of 4-Cyanobenzoic acid, 2-methylphenyl ester (CAS 229164-37-8)

InChI

InChI=1S/C15H11NO2/c1-11-4-2-3-5-14(11)18-15(17)13-8-6-12(10-16)7-9-13/h2-9H,1H3

InChI Key

WZYRZQSCQIKYSA-UHFFFAOYSA-N

Formula

C15H11NO2

SMILES

Cc1ccccc1OC(=O)c1ccc(C#N)cc1

Molecular Weight¹

237.25

CAS

229164-37-8

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	180.24	kJ/mol	Joback Calculated Property
ΔfH°gas	17.27	kJ/mol	Joback Calculated Property
ΔfusH°	26.20	kJ/mol	Joback Calculated Property
ΔvapH°	74.49	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	3.086		Crippen Calculated Property
McVol	183.510	ml/mol	McGowan Calculated Property
Pc	2487.55	kPa	Joback Calculated Property
Inp	[1918.20; 1918.20]
Inp	1918.20		NIST
Inp	1918.20		NIST
Tboil	784.29	K	Joback Calculated Property
Tc	1033.83	K	Joback Calculated Property
Tfus	473.84	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[483.85; 539.55]	J/mol×K	[784.29; 1033.83]
Cp,gas	483.85	J/mol×K	784.29	Joback Calculated Property
Cp,gas	495.73	J/mol×K	825.88	Joback Calculated Property
Cp,gas	506.51	J/mol×K	867.47	Joback Calculated Property
Cp,gas	516.24	J/mol×K	909.06	Joback Calculated Property
Cp,gas	524.96	J/mol×K	950.65	Joback Calculated Property
Cp,gas	532.72	J/mol×K	992.24	Joback Calculated Property
Cp,gas	539.55	J/mol×K	1033.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Cyanobenzoic acid, 2-methylphenyl ester.

Sources

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

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