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

InChI

InChI=1S/C22H35NO3/c1-5-7-11-18(6-2)16-23-21(24)19-12-8-13-20(15-19)22(25)26-14-9-10-17(3)4/h8,12-13,15,17-18H,5-7,9-11,14,16H2,1-4H3,(H,23,24)

InChI Key

AMNCMIOTLHVHSW-UHFFFAOYSA-N

Formula

C22H35NO3

SMILES

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

Molecular Weight¹

361.52

• 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	-607.51	kJ/mol	Joback Calculated Property
ΔvapH°	95.96	kJ/mol	Joback Calculated Property
log10WS	-6.14		Crippen Calculated Property
logPoct/wat	5.801		Crippen Calculated Property
McVol	316.070	ml/mol	McGowan Calculated Property
Pc	1141.34	kPa	Joback Calculated Property
Inp	[2853.00; 2853.00]
Inp	2853.00		NIST
Inp	2853.00		NIST
Tboil	978.57	K	Joback Calculated Property
Tc	1198.36	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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