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

InChI

InChI=1S/C24H39NO3/c1-4-7-9-10-11-12-17-28-24(27)22-16-13-15-21(18-22)23(26)25-19-20(6-3)14-8-5-2/h13,15-16,18,20H,4-12,14,17,19H2,1-3H3,(H,25,26)

InChI Key

WCGZHZFNLDIYGD-UHFFFAOYSA-N

Formula

C24H39NO3

SMILES

CCCCCCCCOC(=O)c1cccc(C(O)=NCC(CC)CCCC)c1

Molecular Weight¹

389.57

• 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	-643.51	kJ/mol	Joback Calculated Property
ΔvapH°	100.80	kJ/mol	Joback Calculated Property
log10WS	-7.22		Crippen Calculated Property
logPoct/wat	6.725		Crippen Calculated Property
McVol	344.250	ml/mol	McGowan Calculated Property
Pc	1001.44	kPa	Joback Calculated Property
Inp	[3121.00; 3121.00]
Inp	3121.00		NIST
Inp	3121.00		NIST
Tboil	1024.77	K	Joback Calculated Property
Tc	1256.04	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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