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

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

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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
Δf -93.58 kJ/mol Joback Calculated Property
Δfgas -579.76 kJ/mol Joback Calculated Property
Δfus 59.18 kJ/mol Joback Calculated Property
Δvap 108.23 kJ/mol Joback Calculated Property
log10WS -7.70 Crippen Calculated Property
logPoct/wat 5.387 Crippen Calculated Property
McVol 319.710 ml/mol McGowan Calculated Property
Pc 1366.68 kPa Joback Calculated Property
Inp [2864.00; 2864.00]   Show Hide
Inp 2864.00 NIST
Inp 2864.00 NIST
Tboil 1098.36 K Joback Calculated Property
Tc 1347.31 K Joback Calculated Property
Tfus 727.30 K Joback Calculated Property
Vc 1.238 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1050.28; 1084.87] J/mol×K [1098.36; 1347.31] Show Hide
Cp,gas 1050.28 J/mol×K 1098.36 Joback Calculated Property
Cp,gas 1059.82 J/mol×K 1139.85 Joback Calculated Property
Cp,gas 1067.77 J/mol×K 1181.34 Joback Calculated Property
Cp,gas 1074.20 J/mol×K 1222.84 Joback Calculated Property
Cp,gas 1079.15 J/mol×K 1264.33 Joback Calculated Property
Cp,gas 1082.69 J/mol×K 1305.82 Joback Calculated Property
Cp,gas 1084.87 J/mol×K 1347.31 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, 4-methyl-3-nitrobenzyl octyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl nonyl ester. Phthalic acid, heptyl 4-methyl-3-nitrobenzyl 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. Terephthalic acid, butyl 4-nitro-3-methylbenzyl ester. Succinic acid, heptyl 3-methyl-2-nitrobenzyl ester. Succinic acid, 3-methyl-2-nitrobenzyl octyl ester. Succinic acid, dodecyl 3-methyl-2-nitrobenzyl ester. Succinic acid, 3-methyl-2-nitrobenzyl nonyl ester.

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

Sources

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