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

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

InChI
InChI=1S/C19H19NO6/c1-3-10-25-18(21)15-6-8-16(9-7-15)19(22)26-12-14-5-4-13(2)17(11-14)20(23)24/h4-9,11H,3,10,12H2,1-2H3
InChI Key
OPPSFJLGGGUUQK-UHFFFAOYSA-N
Formula
C19H19NO6
SMILES
CCCOC(=O)c1ccc(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)cc1
Molecular Weight1
357.36
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Physical Properties

Property Value Unit Source
ΔfusH° 51.98 kJ/mol Joback Calculated Property
log10WS -5.26 Relay (1.0) Calculated Property
logPoct/wat 3.827 Crippen Calculated Property
McVol 263.350 ml/mol McGowan Calculated Property
Pc 1731.78 kPa Joback Calculated Property
Inp [3023.00; 3023.00]   Show Hide
Inp 3023.00 NIST
Inp 3023.00 NIST
Tboil 668.69 K Relay (1.0) Calculated Property
Tfus 312.06 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [808.68; 844.91] J/mol×K [970.90; 1213.30] Show Hide
Cp,gas 808.68 J/mol×K 970.90 Joback Calculated Property
Cp,gas 818.40 J/mol×K 1011.30 Joback Calculated Property
Cp,gas 826.59 J/mol×K 1051.70 Joback Calculated Property
Cp,gas 833.30 J/mol×K 1092.10 Joback Calculated Property
Cp,gas 838.57 J/mol×K 1132.50 Joback Calculated Property
Cp,gas 842.42 J/mol×K 1172.90 Joback Calculated Property
Cp,gas 844.91 J/mol×K 1213.30 Joback Calculated Property

Similar Compounds

Terephthalic acid, isobutyl 3-nitro-4-methylbenzyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl propyl ester. Terephthalic acid, ethyl 3-nitro-4-methylbenzyl ester. Terephthalic acid, 2-nitrobenzyl propyl ester. Phthalic acid, 3,5-dinitro-4-methylbenzyl propyl ester. Phthalic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl pentyl ester. Phthalic acid, ethyl 4-methyl-3-nitrobenzyl ester. Phthalic acid, hexyl 4-methyl-3-nitrobenzyl ester. Terephthalic acid, butyl 2-nitrobenzyl ester. Phthalic acid, heptyl 4-methyl-3-nitrobenzyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl octyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl nonyl ester. Phthalic acid, decyl 4-methyl-3-nitrobenzyl ester. Terephthalic acid, 4-nitro-3-methylbenzyl propyl ester.

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

Sources

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