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

InChI

InChI=1S/C20H22ClNO3/c1-2-3-4-7-13-25-20(24)16-10-8-9-15(14-16)19(23)22-18-12-6-5-11-17(18)21/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,22,23)

InChI Key

CTRWIWVPKFVJRK-UHFFFAOYSA-N

Formula

C20H22ClNO3

SMILES

CCCCCCOC(=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°	37.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-325.66	kJ/mol	Joback Calculated Property
ΔfusH°	48.54	kJ/mol	Joback Calculated Property
ΔvapH°	92.71	kJ/mol	Joback Calculated Property
log10WS	-6.47		Crippen Calculated Property
logPoct/wat	5.329		Crippen Calculated Property
McVol	276.370	ml/mol	McGowan Calculated Property
Pc	1706.12	kPa	Joback Calculated Property
Inp	[3057.00; 3057.00]
Inp	3057.00		NIST
Inp	3057.00		NIST
Tboil	938.08	K	Joback Calculated Property
Tc	1168.49	K	Joback Calculated Property
Tfus	597.71	K	Joback Calculated Property
Vc	1.054	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[830.32; 888.10]	J/mol×K	[938.08; 1168.49]
Cp,gas	830.32	J/mol×K	938.08	Joback Calculated Property
Cp,gas	842.71	J/mol×K	976.48	Joback Calculated Property
Cp,gas	853.92	J/mol×K	1014.88	Joback Calculated Property
Cp,gas	864.01	J/mol×K	1053.29	Joback Calculated Property
Cp,gas	873.02	J/mol×K	1091.69	Joback Calculated Property
Cp,gas	881.04	J/mol×K	1130.09	Joback Calculated Property
Cp,gas	888.10	J/mol×K	1168.49	Joback Calculated Property

Similar Compounds

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

Sources

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

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