Chemical Properties of Isophthalic acid, isohexyl 4-methylpent-2-yl ester

Isophthalic acid, isohexyl 4-methylpent-2-yl ester

InChI
InChI=1S/C20H30O4/c1-14(2)8-7-11-23-19(21)17-9-6-10-18(13-17)20(22)24-16(5)12-15(3)4/h6,9-10,13-16H,7-8,11-12H2,1-5H3
InChI Key
WNESSKNIHAVGCG-UHFFFAOYSA-N
Formula
C20H30O4
SMILES
CC(C)CCCOC(=O)c1cccc(C(=O)OC(C)CC(C)C)c1
Molecular Weight1
334.46
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Physical Properties

Property Value Unit Source
ω 0.8933 Relay (1.0) Calculated Property
ΔfusH° 39.38 kJ/mol Joback Calculated Property
log10WS -5.48 Relay (1.0) Calculated Property
logPoct/wat 4.871 Crippen Calculated Property
McVol 283.780 ml/mol McGowan Calculated Property
Pc 1286.51 kPa Joback Calculated Property
Inp 2263.00 NIST
Tboil 623.92 K Relay (1.0) Calculated Property
Tc 826.97 K Relay (1.0) Calculated Property
Tfus 278.42 K Relay (1.0) Calculated Property
Vc 1.049 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 [865.84; 948.95] J/mol×K [803.98; 1004.96] Show Hide
Cp,gas 865.84 J/mol×K 803.98 Joback Calculated Property
Cp,gas 882.79 J/mol×K 837.48 Joback Calculated Property
Cp,gas 898.47 J/mol×K 870.97 Joback Calculated Property
Cp,gas 912.90 J/mol×K 904.47 Joback Calculated Property
Cp,gas 926.11 J/mol×K 937.97 Joback Calculated Property
Cp,gas 938.11 J/mol×K 971.47 Joback Calculated Property
Cp,gas 948.95 J/mol×K 1004.96 Joback Calculated Property
η [0.0000330; 0.0017605] Pa×s [393.76; 803.98] Show Hide
η 0.0017605 Pa×s 393.76 Joback Calculated Property
η 0.0005558 Pa×s 462.13 Joback Calculated Property
η 0.0002362 Pa×s 530.50 Joback Calculated Property
η 0.0001220 Pa×s 598.87 Joback Calculated Property
η 0.0000722 Pa×s 667.24 Joback Calculated Property
η 0.0000471 Pa×s 735.61 Joback Calculated Property
η 0.0000330 Pa×s 803.98 Joback Calculated Property

Similar Compounds

Isophthalic acid, 4-methylpent-2-yl pentyl ester. Isophthalic acid, hexyl 4-methylpent-2-yl ester. Isophthalic acid, dodecyl 4-methylpent-2-yl ester. Isophthalic acid, 4-methylpent-2-yl tetradecyl ester. Isophthalic acid, 4-methylpent-2-yl octadecyl ester. Isophthalic acid, 4-methylpent-2-yl nonyl ester. Isophthalic acid, heptyl 4-methylpent-2-yl ester. Isophthalic acid, 4-methylpent-2-yl undecyl ester. Isophthalic acid, 4-methylpent-2-yl tridecyl ester. Isophthalic acid, heptadecyl 4-methylpent-2-yl ester. Isophthalic acid, 4-methylpent-2-yl pentadecyl ester. Isophthalic acid, decyl 4-methylpent-2-yl ester. Isophthalic acid, hexadecyl 4-methylpent-2-yl ester. Isophthalic acid, 4-methylpent-2-yl octyl ester. Isophthalic acid, hex-2-yl isohexyl ester.

Find more compounds similar to Isophthalic acid, isohexyl 4-methylpent-2-yl ester.

Sources

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