Chemical Properties of Isophthalic acid, nonyl 4-tert-butylcyclohexyl ester

Isophthalic acid, nonyl 4-tert-butylcyclohexyl ester

InChI
InChI=1S/C27H42O4/c1-5-6-7-8-9-10-11-19-30-25(28)21-13-12-14-22(20-21)26(29)31-24-17-15-23(16-18-24)27(2,3)4/h12-14,20,23-24H,5-11,15-19H2,1-4H3
InChI Key
SHJCJMZDTBDSCM-UHFFFAOYSA-N
Formula
C27H42O4
SMILES
CCCCCCCCCOC(=O)c1cccc(C(=O)OC2CCC(C(C)(C)C)CC2)c1
Molecular Weight1
430.62
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Physical Properties

Property Value Unit Source
ω 1.0432 Relay (1.0) Calculated Property
ΔfusH° 53.57 kJ/mol Joback Calculated Property
log10WS -7.43 Relay (1.0) Calculated Property
logPoct/wat 7.356 Crippen Calculated Property
McVol 371.550 ml/mol McGowan Calculated Property
Pc 922.18 kPa Joback Calculated Property
Inp [3233.00; 3233.00]   Show Hide
Inp 3233.00 NIST
Inp 3233.00 NIST
Tboil 698.99 K Relay (1.0) Calculated Property
Tc 927.04 K Relay (1.0) Calculated Property
Tfus 334.11 K Relay (1.0) Calculated Property
Vc 1.354 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 [1289.33; 1366.68] J/mol×K [977.11; 1199.39] Show Hide
Cp,gas 1289.33 J/mol×K 977.11 Joback Calculated Property
Cp,gas 1306.47 J/mol×K 1014.16 Joback Calculated Property
Cp,gas 1321.82 J/mol×K 1051.20 Joback Calculated Property
Cp,gas 1335.43 J/mol×K 1088.25 Joback Calculated Property
Cp,gas 1347.40 J/mol×K 1125.30 Joback Calculated Property
Cp,gas 1357.79 J/mol×K 1162.34 Joback Calculated Property
Cp,gas 1366.68 J/mol×K 1199.39 Joback Calculated Property
η [0.0000153; 0.0004214] Pa×s [523.21; 977.11] Show Hide
η 0.0004214 Pa×s 523.21 Joback Calculated Property
η 0.0001712 Pa×s 598.86 Joback Calculated Property
η 0.0000851 Pa×s 674.51 Joback Calculated Property
η 0.0000487 Pa×s 750.16 Joback Calculated Property
η 0.0000309 Pa×s 825.81 Joback Calculated Property
η 0.0000211 Pa×s 901.46 Joback Calculated Property
η 0.0000153 Pa×s 977.11 Joback Calculated Property

Similar Compounds

Isophthalic acid, butyl 4-tert-butylcyclohexyl ester. Isophthalic acid, pentyl 4-tert-butylcyclohexyl ester. Isophthalic acid, octyl 4-tert-butylcyclohexyl ester. Isophthalic acid, hexyl 4-tert-butylcyclohexyl ester. Isophthalic acid, 4-tert-butylcyclohexyl undecyl ester. Isophthalic acid, heptyl 4-tert-butylcyclohexyl ester. Isophthalic acid, dodecyl 4-tert-butylcyclohexyl ester. Isophthalic acid, isohexyl 4-tert-butylcyclohexyl ester. Isophthalic acid, ethyl 4-tert-butylcyclohexyl ester. Isophthalic acid, isobutyl 4-tert-butylcyclohexyl ester. Isophthalic acid, di(4-tert-butylcyclohexyl) ester. Isophthalic acid, 6-ethyloct-3-yl isohexyl ester. Isophthalic acid, butyl 3,4-dimethylcyclohexyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl hexyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl octyl ester.

Find more compounds similar to Isophthalic acid, nonyl 4-tert-butylcyclohexyl ester.

Sources

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