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

InChI

InChI=1S/C18H18ClNO3/c1-2-3-11-23-18(22)14-8-6-7-13(12-14)17(21)20-16-10-5-4-9-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,21)

InChI Key

NLAYHBMZFZLFHK-UHFFFAOYSA-N

Formula

C18H18ClNO3

SMILES

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

Molecular Weight¹

331.79

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8561		Relay (1.0) Calculated Property
ΔfG°	20.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-441.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.36	kJ/mol	Joback Calculated Property
ΔvapH°	104.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	4.549		Crippen Calculated Property
McVol	248.190	ml/mol	McGowan Calculated Property
Pc	2012.70	kPa	Joback Calculated Property
Inp	[2820.00; 2820.00]
Inp	2820.00		NIST
Inp	2820.00		NIST
Tboil	658.39	K	Relay (1.0) Calculated Property
Tc	963.17	K	Relay (1.0) Calculated Property
Tfus	364.61	K	Relay (1.0) Calculated Property
Vc	0.887	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[715.92; 772.08]	J/mol×K	[892.32; 1126.04]
Cp,gas	715.92	J/mol×K	892.32	Joback Calculated Property
Cp,gas	728.01	J/mol×K	931.27	Joback Calculated Property
Cp,gas	738.93	J/mol×K	970.23	Joback Calculated Property
Cp,gas	748.75	J/mol×K	1009.18	Joback Calculated Property
Cp,gas	757.51	J/mol×K	1048.13	Joback Calculated Property
Cp,gas	765.27	J/mol×K	1087.09	Joback Calculated Property
Cp,gas	772.08	J/mol×K	1126.04	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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