Chemical Properties of Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester

Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester

InChI
InChI=1S/C20H22ClNO3/c1-14(2)7-6-12-25-20(24)16-9-5-8-15(13-16)19(23)22-18-11-4-3-10-17(18)21/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,23)
InChI Key
UYNUQGFBXGCGIM-UHFFFAOYSA-N
Formula
C20H22ClNO3
SMILES
CC(C)CCCOC(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1
Molecular Weight1
359.85
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 46.60 kJ/mol Joback Calculated Property
log10WS -5.91 Relay (1.0) Calculated Property
logPoct/wat 5.185 Crippen Calculated Property
McVol 276.370 ml/mol McGowan Calculated Property
Inp [3009.00; 3009.00]   Show Hide
Inp 3009.00 NIST
Inp 3009.00 NIST
Tboil 672.83 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [366.88; 850.84] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.17370e+01
Coefficient B1.63314e+00
Coefficient C-9.51420e-04
Coefficient D1.80860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 366.88 J/mol×K 273.00 Calculated Property
Cp,gas 454.96 J/mol×K 353.78 Calculated Property
Cp,gas 533.13 J/mol×K 434.56 Calculated Property
Cp,gas 601.96 J/mol×K 515.33 Calculated Property
Cp,gas 662.02 J/mol×K 596.11 Calculated Property
Cp,gas 713.89 J/mol×K 676.89 Calculated Property
Cp,gas 758.13 J/mol×K 757.67 Calculated Property
Cp,gas 795.32 J/mol×K 838.44 Calculated Property
Cp,gas 826.04 J/mol×K 919.22 Calculated Property
Cp,gas 850.84 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.