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

InChI

InChI=1S/C23H37NO3/c1-4-7-9-10-11-16-27-23(26)21-15-12-14-20(17-21)22(25)24-18-19(6-3)13-8-5-2/h12,14-15,17,19H,4-11,13,16,18H2,1-3H3,(H,24,25)

InChI Key

AQJOVJGOVMSIKT-UHFFFAOYSA-N

Formula

C23H37NO3

SMILES

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

Molecular Weight¹

375.54

• 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	-622.87	kJ/mol	Joback Calculated Property
ΔvapH°	98.57	kJ/mol	Joback Calculated Property
log10WS	-6.80		Crippen Calculated Property
logPoct/wat	6.335		Crippen Calculated Property
McVol	330.160	ml/mol	McGowan Calculated Property
Pc	1065.18	kPa	Joback Calculated Property
Inp	[3018.00; 3018.00]
Inp	3018.00		NIST
Inp	3018.00		NIST
Tboil	1001.89	K	Joback Calculated Property
Tc	1226.80	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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