Chemical Properties of Glutaric acid, cyclohexylmethyl 4-cyanophenyl ester

InChI

InChI=1S/C19H23NO4/c20-13-15-9-11-17(12-10-15)24-19(22)8-4-7-18(21)23-14-16-5-2-1-3-6-16/h9-12,16H,1-8,14H2

InChI Key

NCIIMKSUQCAWIJ-UHFFFAOYSA-N

Formula

C19H23NO4

SMILES

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

Molecular Weight¹

329.39

• 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°	-98.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-480.83	kJ/mol	Joback Calculated Property
ΔfusH°	37.53	kJ/mol	Joback Calculated Property
ΔvapH°	90.04	kJ/mol	Joback Calculated Property
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	3.757		Crippen Calculated Property
McVol	260.210	ml/mol	McGowan Calculated Property
Pc	1660.55	kPa	Joback Calculated Property
Inp	[2053.00; 2053.00]
Inp	2053.00		NIST
Inp	2053.00		NIST
Tboil	939.99	K	Joback Calculated Property
Tc	1172.93	K	Joback Calculated Property
Tfus	559.52	K	Joback Calculated Property
Vc	0.999	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[835.44; 890.37]	J/mol×K	[939.99; 1172.93]
Cp,gas	835.44	J/mol×K	939.99	Joback Calculated Property
Cp,gas	848.24	J/mol×K	978.81	Joback Calculated Property
Cp,gas	859.53	J/mol×K	1017.64	Joback Calculated Property
Cp,gas	869.36	J/mol×K	1056.46	Joback Calculated Property
Cp,gas	877.75	J/mol×K	1095.28	Joback Calculated Property
Cp,gas	884.74	J/mol×K	1134.10	Joback Calculated Property
Cp,gas	890.37	J/mol×K	1172.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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