Chemical Properties of Isophthalic acid, monoamide, N-(3-methylphenyl)-, propyl ester

InChI

InChI=1S/C18H19NO3/c1-3-10-22-18(21)15-8-5-7-14(12-15)17(20)19-16-9-4-6-13(2)11-16/h4-9,11-12H,3,10H2,1-2H3,(H,19,20)

InChI Key

IOBHQTOILXZSKW-UHFFFAOYSA-N

Formula

C18H19NO3

SMILES

CCCOC(=O)c1cccc(C(O)=Nc2cccc(C)c2)c1

Molecular Weight¹

297.35

• 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	-289.33	kJ/mol	Joback Calculated Property
ΔvapH°	90.77	kJ/mol	Joback Calculated Property
log10WS	-4.71		Crippen Calculated Property
logPoct/wat	4.198		Crippen Calculated Property
McVol	235.950	ml/mol	McGowan Calculated Property
Pc	1930.44	kPa	Joback Calculated Property
Inp	[2750.00; 2750.00]
Inp	2750.00		NIST
Inp	2750.00		NIST
Tboil	919.59	K	Joback Calculated Property
Tc	1148.73	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-(3-methylphenyl)-, propyl ester.

Sources

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

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