Chemical Properties of Cyclohexanecarboxylic acid, 4-cyanophenyl ester

InChI

InChI=1S/C14H15NO2/c15-10-11-6-8-13(9-7-11)17-14(16)12-4-2-1-3-5-12/h6-9,12H,1-5H2

InChI Key

UHVXYUDWPRIRGD-UHFFFAOYSA-N

Formula

C14H15NO2

SMILES

N#Cc1ccc(OC(=O)C2CCCCC2)cc1

Molecular Weight¹

229.27

• 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°	93.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-132.83	kJ/mol	Joback Calculated Property
ΔfusH°	21.80	kJ/mol	Joback Calculated Property
ΔvapH°	69.76	kJ/mol	Joback Calculated Property
log10WS	-3.88		Crippen Calculated Property
logPoct/wat	3.044		Crippen Calculated Property
McVol	182.320	ml/mol	McGowan Calculated Property
Pc	2450.74	kPa	Joback Calculated Property
Inp	[1896.00; 1896.00]
Inp	1896.00		NIST
Inp	1896.00		NIST
Tboil	749.30	K	Joback Calculated Property
Tc	996.36	K	Joback Calculated Property
Tfus	431.01	K	Joback Calculated Property
Vc	0.695	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[515.61; 588.37]	J/mol×K	[749.30; 996.36]
Cp,gas	515.61	J/mol×K	749.30	Joback Calculated Property
Cp,gas	530.96	J/mol×K	790.48	Joback Calculated Property
Cp,gas	544.97	J/mol×K	831.65	Joback Calculated Property
Cp,gas	557.67	J/mol×K	872.83	Joback Calculated Property
Cp,gas	569.11	J/mol×K	914.01	Joback Calculated Property
Cp,gas	579.33	J/mol×K	955.18	Joback Calculated Property
Cp,gas	588.37	J/mol×K	996.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-cyanophenyl ester.

Sources

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

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