Chemical Properties of Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester

InChI

InChI=1S/C20H22ClNO3/c1-14(2)7-6-12-25-20(24)16-9-5-8-15(13-16)19(23)22-18-11-4-3-10-17(18)21/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,23)

InChI Key

UYNUQGFBXGCGIM-UHFFFAOYSA-N

Formula

C20H22ClNO3

SMILES

CC(C)CCCOC(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1

Molecular Weight¹

359.85

• 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°	35.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-330.94	kJ/mol	Joback Calculated Property
ΔfusH°	45.02	kJ/mol	Joback Calculated Property
ΔvapH°	92.33	kJ/mol	Joback Calculated Property
log10WS	-6.23		Crippen Calculated Property
logPoct/wat	5.185		Crippen Calculated Property
McVol	276.370	ml/mol	McGowan Calculated Property
Pc	1717.45	kPa	Joback Calculated Property
Inp	[3009.00; 3009.00]
Inp	3009.00		NIST
Inp	3009.00		NIST
Tboil	937.64	K	Joback Calculated Property
Tc	1170.54	K	Joback Calculated Property
Tfus	582.71	K	Joback Calculated Property
Vc	1.048	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[830.82; 888.51]	J/mol×K	[937.64; 1170.54]
Cp,gas	830.82	J/mol×K	937.64	Joback Calculated Property
Cp,gas	843.29	J/mol×K	976.46	Joback Calculated Property
Cp,gas	854.54	J/mol×K	1015.27	Joback Calculated Property
Cp,gas	864.62	J/mol×K	1054.09	Joback Calculated Property
Cp,gas	873.61	J/mol×K	1092.91	Joback Calculated Property
Cp,gas	881.55	J/mol×K	1131.72	Joback Calculated Property
Cp,gas	888.51	J/mol×K	1170.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester.

Sources

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

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