Chemical Properties of Isophthalic acid, monoamide, N-(2-ethylhexyl)-, isobutyl ester

InChI

InChI=1S/C20H31NO3/c1-5-7-9-16(6-2)13-21-19(22)17-10-8-11-18(12-17)20(23)24-14-15(3)4/h8,10-12,15-16H,5-7,9,13-14H2,1-4H3,(H,21,22)

InChI Key

SLRAPUFLUXRABC-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

CCCCC(CC)CN=C(O)c1cccc(C(=O)OCC(C)C)c1

Molecular Weight¹

333.46

• 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	-566.23	kJ/mol	Joback Calculated Property
ΔvapH°	91.50	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	5.020		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1305.17	kPa	Joback Calculated Property
Inp	[2651.00; 2651.00]
Inp	2651.00		NIST
Inp	2651.00		NIST
Tboil	932.81	K	Joback Calculated Property
Tc	1145.87	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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