Chemical Properties of Terephthalic acid, heptyl 2-nitro-3-methylbenzyl ester

Terephthalic acid, heptyl 2-nitro-3-methylbenzyl ester

InChI
InChI=1S/C23H27NO6/c1-3-4-5-6-7-15-29-22(25)18-11-13-19(14-12-18)23(26)30-16-20-10-8-9-17(2)21(20)24(27)28/h8-14H,3-7,15-16H2,1-2H3
InChI Key
NIBKLAKXUKDWNW-UHFFFAOYSA-N
Formula
C23H27NO6
SMILES
CCCCCCCOC(=O)c1ccc(C(=O)OCc2cccc(C)c2[N+](=O)[O-])cc1
Molecular Weight1
413.46
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Physical Properties

Property Value Unit Source
ω 1.1366 Relay (1.0) Calculated Property
ΔfusH° 62.34 kJ/mol Joback Calculated Property
log10WS -6.44 Relay (1.0) Calculated Property
logPoct/wat 5.387 Crippen Calculated Property
McVol 319.710 ml/mol McGowan Calculated Property
Pc 1287.44 kPa Joback Calculated Property
Inp [2864.00; 2864.00]   Show Hide
Inp 2864.00 NIST
Inp 2864.00 NIST
Tboil 696.41 K Relay (1.0) Calculated Property
Tc 983.85 K Relay (1.0) Calculated Property
Tfus 305.10 K Relay (1.0) Calculated Property
Vc 1.161 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 [1040.07; 1073.15] J/mol×K [1062.42; 1305.22] Show Hide
Cp,gas 1040.07 J/mol×K 1062.42 Joback Calculated Property
Cp,gas 1049.49 J/mol×K 1102.89 Joback Calculated Property
Cp,gas 1057.27 J/mol×K 1143.35 Joback Calculated Property
Cp,gas 1063.46 J/mol×K 1183.82 Joback Calculated Property
Cp,gas 1068.14 J/mol×K 1224.29 Joback Calculated Property
Cp,gas 1071.35 J/mol×K 1264.76 Joback Calculated Property
Cp,gas 1073.15 J/mol×K 1305.22 Joback Calculated Property

Similar Compounds

Terephthalic acid, 2-nitrobenzyl pentyl ester. Terephthalic acid, butyl 2-nitrobenzyl ester. Terephthalic acid, hexyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, 4-nitro-3-methylbenzyl pentyl ester. Phthalic acid, heptyl 4-methyl-3-nitrobenzyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl nonyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl octyl ester. Phthalic acid, decyl 4-methyl-3-nitrobenzyl ester. Phthalic acid, hexyl 4-methyl-3-nitrobenzyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl pentyl ester. Succinic acid, dodecyl 3-methyl-2-nitrobenzyl ester. Terephthalic acid, butyl 4-nitro-3-methylbenzyl ester. Succinic acid, 3-methyl-2-nitrobenzyl nonyl ester. Succinic acid, 3-methyl-2-nitrobenzyl octyl ester. Succinic acid, 3-methyl-2-nitrobenzyl undecyl ester.

Find more compounds similar to Terephthalic acid, heptyl 2-nitro-3-methylbenzyl ester.

Sources

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