Chemical Properties of Isophthalic acid, isohexyl 4-nitrophenyl ester

Isophthalic acid, isohexyl 4-nitrophenyl ester

InChI
InChI=1S/C20H21NO6/c1-14(2)5-4-12-26-19(22)15-6-3-7-16(13-15)20(23)27-18-10-8-17(9-11-18)21(24)25/h3,6-11,13-14H,4-5,12H2,1-2H3
InChI Key
DKGJQQLSRPZOOO-UHFFFAOYSA-N
Formula
C20H21NO6
SMILES
CC(C)CCCOC(=O)c1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1
Molecular Weight1
371.39
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Physical Properties

Property Value Unit Source
ΔfusH° 51.44 kJ/mol Joback Calculated Property
IE 9.14 eV Relay (1.0) Calculated Property
log10WS -5.68 Relay (1.0) Calculated Property
logPoct/wat 4.407 Crippen Calculated Property
McVol 277.440 ml/mol McGowan Calculated Property
Inp [3133.00; 3133.00]   Show Hide
Inp 3133.00 NIST
Inp 3133.00 NIST
Tboil 679.42 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [868.00; 904.99] J/mol×K [988.36; 1231.20] Show Hide
Cp,gas 868.00 J/mol×K 988.36 Joback Calculated Property
Cp,gas 877.87 J/mol×K 1028.83 Joback Calculated Property
Cp,gas 886.19 J/mol×K 1069.31 Joback Calculated Property
Cp,gas 893.01 J/mol×K 1109.78 Joback Calculated Property
Cp,gas 898.38 J/mol×K 1150.25 Joback Calculated Property
Cp,gas 902.35 J/mol×K 1190.72 Joback Calculated Property
Cp,gas 904.99 J/mol×K 1231.20 Joback Calculated Property

Similar Compounds

Isophthalic acid, 4-nitrophenyl pentyl ester. Isophthalic acid, hexyl 4-nitrophenyl ester. Isophthalic acid, 4-nitrophenyl octyl ester. Isophthalic acid, heptyl 4-nitrophenyl ester. Isophthalic acid, isohexyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, 4-bromophenyl isohexyl ester. Isophthalic acid, 4-formylphenyl isohexyl ester. Isophthalic acid, isohexyl phenyl ester. Isophthalic acid, 4-cyanophenyl isohexyl ester. Isophthalic acid, isohexyl 4-methoxyphenyl ester. Isophthalic acid, 2-formylphenyl isohexyl ester. Isophthalic acid, 2-fluorophenyl isohexyl ester. Isophthalic acid, 3-fluorophenyl isohexyl ester. Isophthalic acid, 3,5-difluorophenyl isohexyl ester. Isophthalic acid, isohexyl 2-methylphenyl ester.

Find more compounds similar to Isophthalic acid, isohexyl 4-nitrophenyl ester.

Sources

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