Chemical Properties of Glutaric acid, isobutyl 4-methyl-3-nitrobenzyl ester

Glutaric acid, isobutyl 4-methyl-3-nitrobenzyl ester

InChI
InChI=1S/C17H23NO6/c1-12(2)10-23-16(19)5-4-6-17(20)24-11-14-8-7-13(3)15(9-14)18(21)22/h7-9,12H,4-6,10-11H2,1-3H3
InChI Key
ASUMXMLMGASXGU-UHFFFAOYSA-N
Formula
C17H23NO6
SMILES
Cc1ccc(COC(=O)CCCC(=O)OCC(C)C)cc1[N+](=O)[O-]
Molecular Weight1
337.37
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 -782.08 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 49.62 kJ/mol Joback Calculated Property
ΔvapH° 100.03 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.316 Crippen Calculated Property
McVol 258.930 ml/mol McGowan Calculated Property
Inp 2523.00 NIST

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

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [802.36; 857.28] J/mol×K [893.04; 1113.59] Show Hide
Cp,gas 802.36 J/mol×K 893.04 Joback Calculated Property
Cp,gas 814.75 J/mol×K 929.80 Joback Calculated Property
Cp,gas 825.82 J/mol×K 966.56 Joback Calculated Property
Cp,gas 835.58 J/mol×K 1003.32 Joback Calculated Property
Cp,gas 844.07 J/mol×K 1040.07 Joback Calculated Property
Cp,gas 851.29 J/mol×K 1076.83 Joback Calculated Property
Cp,gas 857.28 J/mol×K 1113.59 Joback Calculated Property

Similar Compounds

Sebacic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, 4-methyl-3-nitrobenzyl propyl ester. Succinic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, butyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, 4-methyl-3-nitrobenzyl pentyl ester. Glutaric acid, hexyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, 4-methyl-3-nitrobenzyl undecyl ester. Glutaric acid, 4-methyl-3-nitrobenzyl octyl ester. Glutaric acid, decyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, 4-methyl-3-nitrobenzyl nonyl ester. Glutaric acid, heptyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, dodecyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, 4-methyl-3-nitrobenzyl tridecyl ester. Sebacic acid, 4-methyl-3-nitrobenzyl propyl ester. Sebacic acid, 4-methyl-3-nitrobenzyl pentyl ester.

Find more compounds similar to Glutaric acid, isobutyl 4-methyl-3-nitrobenzyl 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.