Chemical Properties of Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, isobutyl ester

Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, isobutyl ester

InChI
InChI=1S/C16H22ClNO4/c1-11(2)10-22-16(20)6-4-5-15(19)18-13-9-12(17)7-8-14(13)21-3/h7-9,11H,4-6,10H2,1-3H3,(H,18,19)
InChI Key
QSMDKKFRZWCCTO-UHFFFAOYSA-N
Formula
C16H22ClNO4
SMILES
COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(C)C
Molecular Weight1
327.80
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
ΔfH°gas -770.41 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 43.39 kJ/mol Joback Calculated Property
ΔvapH° 99.26 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.657 Crippen Calculated Property
McVol 249.640 ml/mol McGowan Calculated Property
Inp 2742.00 NIST
Tfus 359.76 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [354.69; 781.50] 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 A5.13040e+01
Coefficient B1.26886e+00
Coefficient C-5.91620e-04
Coefficient D5.29600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 354.69 J/mol×K 273.00 Calculated Property
Cp,gas 428.50 J/mol×K 353.78 Calculated Property
Cp,gas 495.32 J/mol×K 434.56 Calculated Property
Cp,gas 555.32 J/mol×K 515.33 Calculated Property
Cp,gas 608.67 J/mol×K 596.11 Calculated Property
Cp,gas 655.54 J/mol×K 676.89 Calculated Property
Cp,gas 696.09 J/mol×K 757.67 Calculated Property
Cp,gas 730.49 J/mol×K 838.44 Calculated Property
Cp,gas 758.90 J/mol×K 919.22 Calculated Property
Cp,gas 781.50 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, propyl ester. Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, butyl ester. Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, ethyl ester. Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, pentyl ester. Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, nonyl ester. Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, decyl ester. Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, heptyl ester. Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, hexyl ester. Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, isohexyl ester. Glutaric acid, monoamide, N-(2-methoxyphenyl)-, isobutyl ester. Glutaric acid, monoamide, N-(2-methoxyphenyl)-, propyl ester. Glutaric acid, monoamide, N-(2-methoxyphenyl)-, butyl ester. Glutaric acid, monoamide, N-(2-methoxyphenyl)-, pentyl ester. Glutaric acid, monoamide, N-(2-methoxyphenyl)-, undecyl ester. Glutaric acid, monoamide, N-(2-methoxyphenyl)-, octyl ester.

Find more compounds similar to Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, isobutyl 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.