Chemical Properties of Isophthalic acid, monoamide, N-butyl-, isohexyl ester

InChI

InChI=1S/C18H27NO3/c1-4-5-11-19-17(20)15-9-6-10-16(13-15)18(21)22-12-7-8-14(2)3/h6,9-10,13-14H,4-5,7-8,11-12H2,1-3H3,(H,19,20)

InChI Key

IXGZPTZANLUORU-UHFFFAOYSA-N

Formula

C18H27NO3

SMILES

CCCCN=C(O)c1cccc(C(=O)OCCCC(C)C)c1

Molecular Weight¹

305.41

• 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	-519.67	kJ/mol	Joback Calculated Property
ΔvapH°	87.44	kJ/mol	Joback Calculated Property
log10WS	-4.71		Crippen Calculated Property
logPoct/wat	4.384		Crippen Calculated Property
McVol	259.710	ml/mol	McGowan Calculated Property
Pc	1497.67	kPa	Joback Calculated Property
Inp	[2538.00; 2538.00]
Inp	2538.00		NIST
Inp	2538.00		NIST
Tboil	887.49	K	Joback Calculated Property
Tc	1095.76	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-butyl-, isohexyl ester.

Sources

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

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