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

InChI

InChI=1S/C21H25NO3/c1-3-4-5-6-13-25-21(24)18-11-8-10-17(15-18)20(23)22-19-12-7-9-16(2)14-19/h7-12,14-15H,3-6,13H2,1-2H3,(H,22,23)

InChI Key

MCSACYHHGVATTE-UHFFFAOYSA-N

Formula

C21H25NO3

SMILES

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

Molecular Weight¹

339.43

• ω : Acentric Factor.
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0833		Relay (1.0) Calculated Property
log10WS	-5.63		Relay (1.0) Calculated Property
logPoct/wat	5.368		Crippen Calculated Property
McVol	278.220	ml/mol	McGowan Calculated Property
Pc	1473.62	kPa	Joback Calculated Property
Inp	[3079.00; 3079.00]
Inp	3079.00		NIST
Inp	3079.00		NIST
Tboil	684.81	K	Relay (1.0) Calculated Property
Tc	953.68	K	Relay (1.0) Calculated Property
Tfus	373.84	K	Relay (1.0) Calculated Property
Vc	1.017	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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