Chemical Properties of Succinic acid, cyclohexylmethyl 4-cyanophenyl ester

InChI

InChI=1S/C18H21NO4/c19-12-14-6-8-16(9-7-14)23-18(21)11-10-17(20)22-13-15-4-2-1-3-5-15/h6-9,15H,1-5,10-11,13H2

InChI Key

KNFWMKBPIHMKGG-UHFFFAOYSA-N

Formula

C18H21NO4

SMILES

N#Cc1ccc(OC(=O)CCC(=O)OCC2CCCCC2)cc1

Molecular Weight¹

315.36

• 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°	-106.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-460.19	kJ/mol	Joback Calculated Property
ΔfusH°	34.94	kJ/mol	Joback Calculated Property
ΔvapH°	87.82	kJ/mol	Joback Calculated Property
log10WS	-4.42		Crippen Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	246.120	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[2665.00; 2665.00]
Inp	2665.00		NIST
Inp	2665.00		NIST
Tboil	917.11	K	Joback Calculated Property
Tc	1151.63	K	Joback Calculated Property
Tfus	548.25	K	Joback Calculated Property
Vc	0.943	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[777.55; 832.93]	J/mol×K	[917.11; 1151.63]
Cp,gas	777.55	J/mol×K	917.11	Joback Calculated Property
Cp,gas	790.37	J/mol×K	956.20	Joback Calculated Property
Cp,gas	801.72	J/mol×K	995.28	Joback Calculated Property
Cp,gas	811.62	J/mol×K	1034.37	Joback Calculated Property
Cp,gas	820.11	J/mol×K	1073.46	Joback Calculated Property
Cp,gas	827.20	J/mol×K	1112.54	Joback Calculated Property
Cp,gas	832.93	J/mol×K	1151.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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