Chemical Properties of Terephthalic acid, di(2,4,4-trimethylpentyl) ester

Terephthalic acid, di(2,4,4-trimethylpentyl) ester

InChI
InChI=1S/C24H38O4/c1-17(13-23(3,4)5)15-27-21(25)19-9-11-20(12-10-19)22(26)28-16-18(2)14-24(6,7)8/h9-12,17-18H,13-16H2,1-8H3
InChI Key
WEMQQGBLMUDXIC-UHFFFAOYSA-N
Formula
C24H38O4
SMILES
CC(COC(=O)c1ccc(C(=O)OCC(C)CC(C)(C)C)cc1)CC(C)(C)C
Molecular Weight1
390.56
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Physical Properties

Property Value Unit Source
ΔfusH° 38.43 kJ/mol Joback Calculated Property
log10WS -7.06 Relay (1.0) Calculated Property
logPoct/wat 6.145 Crippen Calculated Property
McVol 340.140 ml/mol McGowan Calculated Property
Inp [2680.00; 2680.00]   Show Hide
Inp 2680.00 NIST
Inp 2680.00 NIST
Tboil 659.58 K Relay (1.0) Calculated Property
Tfus 353.81 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [1105.87; 1191.17] J/mol×K [889.48; 1099.95] Show Hide
Cp,gas 1105.87 J/mol×K 889.48 Joback Calculated Property
Cp,gas 1123.30 J/mol×K 924.56 Joback Calculated Property
Cp,gas 1139.34 J/mol×K 959.64 Joback Calculated Property
Cp,gas 1154.06 J/mol×K 994.72 Joback Calculated Property
Cp,gas 1167.56 J/mol×K 1029.80 Joback Calculated Property
Cp,gas 1179.90 J/mol×K 1064.87 Joback Calculated Property
Cp,gas 1191.17 J/mol×K 1099.95 Joback Calculated Property
η [0.0000119; 0.0007226] Pa×s [458.68; 889.48] Show Hide
η 0.0007226 Pa×s 458.68 Joback Calculated Property
η 0.0002294 Pa×s 530.48 Joback Calculated Property
η 0.0000957 Pa×s 602.28 Joback Calculated Property
η 0.0000481 Pa×s 674.08 Joback Calculated Property
η 0.0000276 Pa×s 745.88 Joback Calculated Property
η 0.0000175 Pa×s 817.68 Joback Calculated Property
η 0.0000119 Pa×s 889.48 Joback Calculated Property

Similar Compounds

Terephthalic acid, isobutyl 2,4,4-trimethylpentyl ester. Terephthalic acid, ethyl 2,4,4-trimethylpentyl ester. Terephthalic acid, propyl 2,4,4-trimethylpentyl ester. Terephthalic acid, butyl 2,4,4-trimethylpentyl ester. Terephthalic acid, pentyl 2,4,4-trimethylpentyl ester. Terephthalic acid, hexyl 2,4,4-trimethylpentyl ester. Terephthalic acid, heptyl 2,4,4-trimethylpentyl ester. Terephthalic acid, 2,4,4-trimethylpentyl undecyl ester. Terephthalic acid, decyl 2,4,4-trimethylpentyl ester. Terephthalic acid, dodecyl 2,4,4-trimethylpentyl ester. Terephthalic acid, octyl 2,4,4-trimethylpentyl ester. Terephthalic acid, tridecyl 2,4,4-trimethylpentyl ester. Terephthalic acid, nonyl 2,4,4-trimethylpentyl ester. Benzoic acid 2-methylpentyl ester. 4-Methylbenzoic acid, 2-methylpentyl ester.

Find more compounds similar to Terephthalic acid, di(2,4,4-trimethylpentyl) ester.

Sources

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