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

Isophthalic acid, monoamide, N-(3-methylphenyl)-, isohexyl ester

InChI
InChI=1S/C21H25NO3/c1-15(2)7-6-12-25-21(24)18-10-5-9-17(14-18)20(23)22-19-11-4-8-16(3)13-19/h4-5,8-11,13-15H,6-7,12H2,1-3H3,(H,22,23)
InChI Key
XXIAEXWYUDCZAS-UHFFFAOYSA-N
Formula
C21H25NO3
SMILES
Cc1cccc(NC(=O)c2cccc(C(=O)OCCCC(C)C)c2)c1
Molecular Weight1
339.43
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Physical Properties

Property Value Unit Source
ΔfusH° 44.99 kJ/mol Joback Calculated Property
IE 8.11 eV Relay (1.0) Calculated Property
log10WS -5.75 Relay (1.0) Calculated Property
logPoct/wat 4.840 Crippen Calculated Property
McVol 278.220 ml/mol McGowan Calculated Property
Inp [3027.00; 3027.00]   Show Hide
Inp 3027.00 NIST
Inp 3027.00 NIST
Tboil 685.25 K Relay (1.0) Calculated Property
Tfus 371.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [861.50; 926.70] J/mol×K [905.22; 1131.18] Show Hide
Cp,gas 861.50 J/mol×K 905.22 Joback Calculated Property
Cp,gas 875.47 J/mol×K 942.88 Joback Calculated Property
Cp,gas 888.12 J/mol×K 980.54 Joback Calculated Property
Cp,gas 899.51 J/mol×K 1018.20 Joback Calculated Property
Cp,gas 909.70 J/mol×K 1055.86 Joback Calculated Property
Cp,gas 918.74 J/mol×K 1093.52 Joback Calculated Property
Cp,gas 926.70 J/mol×K 1131.18 Joback Calculated Property

Similar Compounds

Isophthalic acid, monoamide, N-(3-methylphenyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, isohexyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, nonyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, octyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, pentyl ester. Isophthalic acid, monoamide, N-(3-methylphenyl)-, isobutyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, octyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, butyl ester. Isophthalic acid, monoamide, N-(3-methylphenyl)-, ethyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, butyl ester.

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

Sources

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