Chemical Properties of Isophthalic acid, 3,4-dimethylcyclohexyl isobutyl ester

Isophthalic acid, 3,4-dimethylcyclohexyl isobutyl ester

InChI
InChI=1S/C20H28O4/c1-13(2)12-23-19(21)16-6-5-7-17(11-16)20(22)24-18-9-8-14(3)15(4)10-18/h5-7,11,13-15,18H,8-10,12H2,1-4H3
InChI Key
SQABXCZHPURDHQ-UHFFFAOYSA-N
Formula
C20H28O4
SMILES
CC(C)COC(=O)c1cccc(C(=O)OC2CCC(C)C(C)C2)c1
Molecular Weight1
332.44
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Physical Properties

Property Value Unit Source
ΔfusH° 40.40 kJ/mol Joback Calculated Property
log10WS -5.41 Relay (1.0) Calculated Property
logPoct/wat 4.481 Crippen Calculated Property
McVol 272.920 ml/mol McGowan Calculated Property
Tboil 647.86 K Relay (1.0) Calculated Property
Tfus 303.68 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 [867.17; 954.07] J/mol×K [815.07; 1032.98] Show Hide
Cp,gas 867.17 J/mol×K 815.07 Joback Calculated Property
Cp,gas 885.84 J/mol×K 851.39 Joback Calculated Property
Cp,gas 902.81 J/mol×K 887.71 Joback Calculated Property
Cp,gas 918.10 J/mol×K 924.02 Joback Calculated Property
Cp,gas 931.72 J/mol×K 960.34 Joback Calculated Property
Cp,gas 943.71 J/mol×K 996.66 Joback Calculated Property
Cp,gas 954.07 J/mol×K 1032.98 Joback Calculated Property
η [0.0000661; 0.0013108] Pa×s [422.66; 815.07] Show Hide
η 0.0013108 Pa×s 422.66 Joback Calculated Property
η 0.0005709 Pa×s 488.06 Joback Calculated Property
η 0.0003026 Pa×s 553.46 Joback Calculated Property
η 0.0001834 Pa×s 618.87 Joback Calculated Property
η 0.0001223 Pa×s 684.27 Joback Calculated Property
η 0.0000876 Pa×s 749.67 Joback Calculated Property
η 0.0000661 Pa×s 815.07 Joback Calculated Property

Similar Compounds

Isophthalic acid, 3,4-dimethylcyclohexyl propyl ester. Isophthalic acid, butyl 3,4-dimethylcyclohexyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl pentyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl hexyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl octyl ester. Isophthalic acid, 3,5-dimethylcyclohexyl isobutyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl ethyl ester. Isophthalic acid, 3,5-dimethylcyclohexyl propyl ester. Isophthalic acid, butyl 3,5-dimethylcyclohexyl ester. Isophthalic acid, di(3,4-dimethylcyclohexyl) ester. Isophthalic acid, isobutyl 4-tert-butylcyclohexyl ester. Isophthalic acid, 6-ethyloct-3-yl isobutyl ester. Isophthalic acid, 3,5-dimethylcyclohexyl ethyl ester. Isophthalic acid, 6-ethyloct-3-yl isohexyl ester. Isophthalic acid, pentyl 4-tert-butylcyclohexyl ester.

Find more compounds similar to Isophthalic acid, 3,4-dimethylcyclohexyl isobutyl ester.

Sources

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