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

InChI

InChI=1S/C21H24ClNO3/c1-2-3-4-5-8-14-26-21(25)17-11-9-10-16(15-17)20(24)23-19-13-7-6-12-18(19)22/h6-7,9-13,15H,2-5,8,14H2,1H3,(H,23,24)

InChI Key

KEACAALLMUEHQX-UHFFFAOYSA-N

Formula

C21H24ClNO3

SMILES

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

Molecular Weight¹

373.88

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.9857		Relay (1.0) Calculated Property
ΔfH°gas	-504.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.71	kJ/mol	Joback Calculated Property
ΔvapH°	115.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-6.43		Relay (1.0) Calculated Property
logPoct/wat	5.720		Crippen Calculated Property
McVol	290.460	ml/mol	McGowan Calculated Property
Pc	1528.27	kPa	Joback Calculated Property
Inp	[3160.00; 3160.00]
Inp	3160.00		NIST
Inp	3160.00		NIST
Tboil	680.35	K	Relay (1.0) Calculated Property
Tc	985.00	K	Relay (1.0) Calculated Property
Tfus	357.72	K	Relay (1.0) Calculated Property
Vc	1.049	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[883.60; 941.20]	J/mol×K	[943.09; 1170.74]
Cp,gas	883.60	J/mol×K	943.09	Joback Calculated Property
Cp,gas	896.11	J/mol×K	981.03	Joback Calculated Property
Cp,gas	907.38	J/mol×K	1018.97	Joback Calculated Property
Cp,gas	917.45	J/mol×K	1056.92	Joback Calculated Property
Cp,gas	926.41	J/mol×K	1094.86	Joback Calculated Property
Cp,gas	934.30	J/mol×K	1132.80	Joback Calculated Property
Cp,gas	941.20	J/mol×K	1170.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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