Chemical Properties of Terephthalic acid, isohexyl 2-methylpent-3-yl ester

Terephthalic acid, isohexyl 2-methylpent-3-yl ester

InChI
InChI=1S/C20H30O4/c1-6-18(15(4)5)24-20(22)17-11-9-16(10-12-17)19(21)23-13-7-8-14(2)3/h9-12,14-15,18H,6-8,13H2,1-5H3
InChI Key
XRBSXPHKLDSMMT-UHFFFAOYSA-N
Formula
C20H30O4
SMILES
CCC(OC(=O)c1ccc(C(=O)OCCCC(C)C)cc1)C(C)C
Molecular Weight1
334.45
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Physical Properties

Property Value Unit Source
ω 0.8941 Relay (1.0) Calculated Property
ΔfusH° 39.38 kJ/mol Joback Calculated Property
log10WS -5.43 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 2308.00 NIST
Tboil 633.31 K Relay (1.0) Calculated Property
Tc 826.83 K Relay (1.0) Calculated Property
Tfus 286.53 K Relay (1.0) Calculated Property
Vc 1.040 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

Terephthalic acid, hexyl 2-methylpent-3-yl ester. Terephthalic acid, heptyl 2-methylpent-3-yl ester. Terephthalic acid, 2-methylpent-3-yl nonyl ester. Terephthalic acid, 2-methylpent-3-yl octyl ester. Terephthalic acid, 2-methylpent-3-yl tridecyl ester. Terephthalic acid, hexadecyl 2-methylpent-3-yl ester. Terephthalic acid, 2-methylpent-3-yl undecyl ester. Terephthalic acid, 2-methylpent-3-yl pentadecyl ester. Terephthalic acid, decyl 2-methylpent-3-yl ester. Terephthalic acid, 2-methylpent-3-yl tetradecyl ester. Terephthalic acid, dodecyl 2-methylpent-3-yl ester. Terephthalic acid, butyl 2-methylpent-3-yl ester. Terephthalic acid, isohexyl 3-methylbut-2-yl ester. Terephthalic acid, 2-methylhex-3-yl butyl ester. Terephthalic acid, 3-hexyl isohexyl ester.

Find more compounds similar to Terephthalic acid, isohexyl 2-methylpent-3-yl ester.

Sources

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