Chemical Properties of Terephthalic acid, isobutyl 4-nitro-3-methylbenzyl ester

Terephthalic acid, isobutyl 4-nitro-3-methylbenzyl ester

InChI
InChI=1S/C20H21NO6/c1-13(2)11-26-19(22)16-5-7-17(8-6-16)20(23)27-12-15-4-9-18(21(24)25)14(3)10-15/h4-10,13H,11-12H2,1-3H3
InChI Key
BUPQUVKASKKNIF-UHFFFAOYSA-N
Formula
C20H21NO6
SMILES
Cc1cc(COC(=O)c2ccc(C(=O)OCC(C)C)cc2)ccc1[N+](=O)[O-]
Molecular Weight1
371.38
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° 51.05 kJ/mol Joback Calculated Property
ΔvapH° 114.99 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.073 Crippen Calculated Property
McVol 277.440 ml/mol McGowan Calculated Property
Inp [3085.00; 3085.00]   Show Hide
Inp 3085.00 NIST
Inp 3085.00 NIST
Tboil 675.56 K Relay (1.0) Calculated Property
Tfus 307.85 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 [866.26; 901.43] J/mol×K [993.34; 1236.93] Show Hide
Cp,gas 866.26 J/mol×K 993.34 Joback Calculated Property
Cp,gas 875.95 J/mol×K 1033.94 Joback Calculated Property
Cp,gas 884.05 J/mol×K 1074.54 Joback Calculated Property
Cp,gas 890.61 J/mol×K 1115.13 Joback Calculated Property
Cp,gas 895.66 J/mol×K 1155.73 Joback Calculated Property
Cp,gas 899.25 J/mol×K 1196.33 Joback Calculated Property
Cp,gas 901.43 J/mol×K 1236.93 Joback Calculated Property

Similar Compounds

Terephthalic acid, 4-nitro-3-methylbenzyl propyl ester. Terephthalic acid, butyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, ethyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, 4-nitro-3-methylbenzyl pentyl ester. Terephthalic acid, hexyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, isobutyl 3-nitro-4-methylbenzyl ester. Phthalic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Benzoic acid, (3-methyl-4-nitrophenyl)methyl ester. Terephthalic acid, 2-nitrobenzyl propyl ester. Terephthalic acid, isobutyl 4-nitrobenzyl ester. Phthalic acid, isobutyl 4-nitrobenzyl ester. Phthalic acid, 3,5-dinitro-4-methylbenzyl isobutyl ester. Terephthalic acid, butyl 2-nitrobenzyl ester. Terephthalic acid, 2-nitrobenzyl pentyl ester. Succinic acid, isobutyl 3-methyl-4-nitrobenzyl ester.

Find more compounds similar to Terephthalic acid, isobutyl 4-nitro-3-methylbenzyl 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.