Chemical Properties of Isophthalic acid, monoamide, N-(3-methylphenyl)-, isohexyl ester

InChI

InChI=1S/C21H25NO3/c1-15(2)7-6-12-25-21(24)18-10-5-9-17(14-18)20(23)22-19-11-4-8-16(3)13-19/h4-5,8-11,13-15H,6-7,12H2,1-3H3,(H,22,23)

InChI Key

XXIAEXWYUDCZAS-UHFFFAOYSA-N

Formula

C21H25NO3

SMILES

Cc1cccc(N=C(O)c2cccc(C(=O)OCCCC(C)C)c2)c1

Molecular Weight¹

339.43

• 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	-356.53	kJ/mol	Joback Calculated Property
ΔvapH°	97.06	kJ/mol	Joback Calculated Property
log10WS	-5.73		Crippen Calculated Property
logPoct/wat	5.224		Crippen Calculated Property
McVol	278.220	ml/mol	McGowan Calculated Property
Pc	1530.66	kPa	Joback Calculated Property
Inp	[3027.00; 3027.00]
Inp	3027.00		NIST
Inp	3027.00		NIST
Tboil	987.79	K	Joback Calculated Property
Tc	1218.45	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-(3-methylphenyl)-, isohexyl ester.

Sources

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

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