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

InChI

InChI=1S/C21H33NO3/c1-4-7-9-14-25-21(24)19-13-10-12-18(15-19)20(23)22-16-17(6-3)11-8-5-2/h10,12-13,15,17H,4-9,11,14,16H2,1-3H3,(H,22,23)

InChI Key

TXRLEXHCUIISOB-UHFFFAOYSA-N

Formula

C21H33NO3

SMILES

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

Molecular Weight¹

347.49

• 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	-581.59	kJ/mol	Joback Calculated Property
ΔvapH°	94.12	kJ/mol	Joback Calculated Property
log10WS	-5.96		Crippen Calculated Property
logPoct/wat	5.555		Crippen Calculated Property
McVol	301.980	ml/mol	McGowan Calculated Property
Pc	1212.36	kPa	Joback Calculated Property
Inp	[2800.00; 2800.00]
Inp	2800.00		NIST
Inp	2800.00		NIST
Tboil	956.13	K	Joback Calculated Property
Tc	1171.56	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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