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

InChI

InChI=1S/C19H20ClNO3/c1-2-3-6-12-24-19(23)15-9-7-8-14(13-15)18(22)21-17-11-5-4-10-16(17)20/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,21,22)

InChI Key

KKFSEOBLEPTCEJ-UHFFFAOYSA-N

Formula

C19H20ClNO3

SMILES

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

Molecular Weight¹

345.82

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-325.71	kJ/mol	Joback Calculated Property
ΔvapH°	97.38	kJ/mol	Joback Calculated Property
log10WS	-5.76		Crippen Calculated Property
logPoct/wat	5.323		Crippen Calculated Property
McVol	262.280	ml/mol	McGowan Calculated Property
Pc	1723.16	kPa	Joback Calculated Property
Inp	[2939.00; 2939.00]
Inp	2939.00		NIST
Inp	2939.00		NIST
Tboil	979.90	K	Joback Calculated Property
Tc	1212.62	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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