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

InChI

InChI=1S/C19H21NO3/c1-13(2)12-23-19(22)16-8-5-7-15(11-16)18(21)20-17-9-4-6-14(3)10-17/h4-11,13H,12H2,1-3H3,(H,20,21)

InChI Key

OJYCLADVRIHJAK-UHFFFAOYSA-N

Formula

C19H21NO3

SMILES

Cc1cccc(N=C(O)c2cccc(C(=O)OCC(C)C)c2)c1

Molecular Weight¹

311.37

• 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	-315.25	kJ/mol	Joback Calculated Property
ΔvapH°	92.60	kJ/mol	Joback Calculated Property
log10WS	-4.89		Crippen Calculated Property
logPoct/wat	4.444		Crippen Calculated Property
McVol	250.040	ml/mol	McGowan Calculated Property
Pc	1789.39	kPa	Joback Calculated Property
Inp	[2797.00; 2797.00]
Inp	2797.00		NIST
Inp	2797.00		NIST
Tboil	942.03	K	Joback Calculated Property
Tc	1172.63	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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