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

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(NC(=O)c2cccc(C(=O)OCC(C)C)c2)c1
Molecular Weight1
311.38
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Physical Properties

Property Value Unit Source
ΔfH°gas -457.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.81 kJ/mol Joback Calculated Property
IE 8.17 eV Relay (1.0) Calculated Property
log10WS -5.10 Relay (1.0) Calculated Property
logPoct/wat 4.060 Crippen Calculated Property
McVol 250.040 ml/mol McGowan Calculated Property
Inp [2797.00; 2797.00]   Show Hide
Inp 2797.00 NIST
Inp 2797.00 NIST
Tboil 672.05 K Relay (1.0) Calculated Property
Tfus 384.59 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [746.44; 810.95] J/mol×K [859.46; 1089.19] Show Hide
Cp,gas 746.44 J/mol×K 859.46 Joback Calculated Property
Cp,gas 760.28 J/mol×K 897.75 Joback Calculated Property
Cp,gas 772.81 J/mol×K 936.04 Joback Calculated Property
Cp,gas 784.09 J/mol×K 974.32 Joback Calculated Property
Cp,gas 794.17 J/mol×K 1012.61 Joback Calculated Property
Cp,gas 803.11 J/mol×K 1050.90 Joback Calculated Property
Cp,gas 810.95 J/mol×K 1089.19 Joback Calculated Property

Similar Compounds

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

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

Sources

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