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

InChI

InChI=1S/C19H29NO3/c1-4-7-9-15(6-3)14-20-18(21)16-10-8-11-17(13-16)19(22)23-12-5-2/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3,(H,20,21)

InChI Key

QVGYMELIPQEEGU-UHFFFAOYSA-N

Formula

C19H29NO3

SMILES

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

Molecular Weight¹

319.44

• 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	-540.31	kJ/mol	Joback Calculated Property
ΔvapH°	89.67	kJ/mol	Joback Calculated Property
log10WS	-5.13		Crippen Calculated Property
logPoct/wat	4.774		Crippen Calculated Property
McVol	273.800	ml/mol	McGowan Calculated Property
Pc	1392.29	kPa	Joback Calculated Property
Inp	[2598.00; 2598.00]
Inp	2598.00		NIST
Inp	2598.00		NIST
Tboil	910.37	K	Joback Calculated Property
Tc	1120.17	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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