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

InChI

InChI=1S/C16H14ClNO3/c1-2-21-16(20)12-7-5-6-11(10-12)15(19)18-14-9-4-3-8-13(14)17/h3-10H,2H2,1H3,(H,18,19)

InChI Key

PYVFDIOKDDCZQI-UHFFFAOYSA-N

Formula

C16H14ClNO3

SMILES

CCOC(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1

Molecular Weight¹

303.74

• 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°	4.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-243.10	kJ/mol	Joback Calculated Property
ΔfusH°	38.18	kJ/mol	Joback Calculated Property
ΔvapH°	83.81	kJ/mol	Joback Calculated Property
log10WS	-4.79		Crippen Calculated Property
logPoct/wat	3.769		Crippen Calculated Property
McVol	220.010	ml/mol	McGowan Calculated Property
Pc	2410.00	kPa	Joback Calculated Property
Inp	[2611.00; 2611.00]
Inp	2611.00		NIST
Inp	2611.00		NIST
Tboil	846.56	K	Joback Calculated Property
Tc	1086.44	K	Joback Calculated Property
Tfus	552.63	K	Joback Calculated Property
Vc	0.830	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[604.67; 658.44]	J/mol×K	[846.56; 1086.44]
Cp,gas	604.67	J/mol×K	846.56	Joback Calculated Property
Cp,gas	616.33	J/mol×K	886.54	Joback Calculated Property
Cp,gas	626.84	J/mol×K	926.52	Joback Calculated Property
Cp,gas	636.26	J/mol×K	966.50	Joback Calculated Property
Cp,gas	644.64	J/mol×K	1006.48	Joback Calculated Property
Cp,gas	652.02	J/mol×K	1046.46	Joback Calculated Property
Cp,gas	658.44	J/mol×K	1086.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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