Chemical Properties of Glutaric acid, 3-chlorophenyl 4-cyanophenyl ester

InChI

InChI=1S/C18H14ClNO4/c19-14-3-1-4-16(11-14)24-18(22)6-2-5-17(21)23-15-9-7-13(12-20)8-10-15/h1,3-4,7-11H,2,5-6H2

InChI Key

QPXWOKARMRSKFW-UHFFFAOYSA-N

Formula

C18H14ClNO4

SMILES

N#Cc1ccc(OC(=O)CCCC(=O)Oc2cccc(Cl)c2)cc1

Molecular Weight¹

343.76

• 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°	-40.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-305.19	kJ/mol	Joback Calculated Property
ΔfusH°	40.96	kJ/mol	Joback Calculated Property
ΔvapH°	94.71	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	3.893		Crippen Calculated Property
McVol	245.460	ml/mol	McGowan Calculated Property
Pc	1916.94	kPa	Joback Calculated Property
Inp	[2880.00; 2880.00]
Inp	2880.00		NIST
Inp	2880.00		NIST
Tboil	966.65	K	Joback Calculated Property
Tc	1209.77	K	Joback Calculated Property
Tfus	609.73	K	Joback Calculated Property
Vc	0.951	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.32; 732.11]	J/mol×K	[966.65; 1209.77]
Cp,gas	697.32	J/mol×K	966.65	Joback Calculated Property
Cp,gas	706.08	J/mol×K	1007.17	Joback Calculated Property
Cp,gas	713.62	J/mol×K	1047.69	Joback Calculated Property
Cp,gas	719.96	J/mol×K	1088.21	Joback Calculated Property
Cp,gas	725.13	J/mol×K	1128.73	Joback Calculated Property
Cp,gas	729.17	J/mol×K	1169.25	Joback Calculated Property
Cp,gas	732.11	J/mol×K	1209.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 4-cyanophenyl ester.

Sources

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

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