Chemical Properties of Glutaric acid, 4-cyanophenyl isohexyl ester

InChI

InChI=1S/C18H23NO4/c1-14(2)5-4-12-22-17(20)6-3-7-18(21)23-16-10-8-15(13-19)9-11-16/h8-11,14H,3-7,12H2,1-2H3

InChI Key

RESKHSMHNKVIHS-UHFFFAOYSA-N

Formula

C18H23NO4

SMILES

CC(C)CCCOC(=O)CCCC(=O)Oc1ccc(C#N)cc1

Molecular Weight¹

317.38

• 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°	-133.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-519.79	kJ/mol	Joback Calculated Property
ΔfusH°	39.59	kJ/mol	Joback Calculated Property
ΔvapH°	87.00	kJ/mol	Joback Calculated Property
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	256.980	ml/mol	McGowan Calculated Property
Pc	1531.86	kPa	Joback Calculated Property
Inp	[2518.00; 2518.00]
Inp	2518.00		NIST
Inp	2518.00		NIST
Tboil	897.12	K	Joback Calculated Property
Tc	1113.04	K	Joback Calculated Property
Tfus	525.87	K	Joback Calculated Property
Vc	1.004	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.45; 844.37]	J/mol×K	[897.12; 1113.04]
Cp,gas	785.45	J/mol×K	897.12	Joback Calculated Property
Cp,gas	798.05	J/mol×K	933.11	Joback Calculated Property
Cp,gas	809.51	J/mol×K	969.09	Joback Calculated Property
Cp,gas	819.85	J/mol×K	1005.08	Joback Calculated Property
Cp,gas	829.09	J/mol×K	1041.06	Joback Calculated Property
Cp,gas	837.26	J/mol×K	1077.05	Joback Calculated Property
Cp,gas	844.37	J/mol×K	1113.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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