Chemical Properties of Terephthalic acid, isobutyl 4-methylhept-3-yl ester

Terephthalic acid, isobutyl 4-methylhept-3-yl ester

InChI
InChI=1S/C20H30O4/c1-6-8-15(5)18(7-2)24-20(22)17-11-9-16(10-12-17)19(21)23-13-14(3)4/h9-12,14-15,18H,6-8,13H2,1-5H3
InChI Key
LKTIFDGZDAKHLW-UHFFFAOYSA-N
Formula
C20H30O4
SMILES
CCCC(C)C(CC)OC(=O)c1ccc(C(=O)OCC(C)C)cc1
Molecular Weight1
334.45
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 36.21 kJ/mol Joback Calculated Property
log10WS -5.49 Relay (1.0) Calculated Property
logPoct/wat 4.871 Crippen Calculated Property
McVol 283.780 ml/mol McGowan Calculated Property
Inp [2326.00; 2326.00]   Show Hide
Inp 2326.00 NIST
Inp 2326.00 NIST
Tboil 634.23 K Relay (1.0) Calculated Property
Tfus 281.63 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 [879.27; 960.66] J/mol×K [839.92; 1045.58] Show Hide
Cp,gas 879.27 J/mol×K 839.92 Joback Calculated Property
Cp,gas 895.82 J/mol×K 874.20 Joback Calculated Property
Cp,gas 911.14 J/mol×K 908.47 Joback Calculated Property
Cp,gas 925.26 J/mol×K 942.75 Joback Calculated Property
Cp,gas 938.21 J/mol×K 977.03 Joback Calculated Property
Cp,gas 950.00 J/mol×K 1011.30 Joback Calculated Property
Cp,gas 960.66 J/mol×K 1045.58 Joback Calculated Property
η [0.0000422; 0.0009099] Pa×s [453.42; 839.92] Show Hide
η 0.0009099 Pa×s 453.42 Joback Calculated Property
η 0.0003967 Pa×s 517.84 Joback Calculated Property
η 0.0002078 Pa×s 582.25 Joback Calculated Property
η 0.0001239 Pa×s 646.67 Joback Calculated Property
η 0.0000811 Pa×s 711.09 Joback Calculated Property
η 0.0000569 Pa×s 775.50 Joback Calculated Property
η 0.0000422 Pa×s 839.92 Joback Calculated Property

Similar Compounds

Terephthalic acid, 4-methylhept-3-yl propyl ester. Terephthalic acid, 4-methylhept-3-yl pentyl ester. Terephthalic acid, butyl 4-methylhept-3-yl ester. Terephthalic acid, ethyl 4-methylhept-3-yl ester. Terephthalic acid, di(4-methylhept-3-yl) ester. Terephthalic acid, 2-methylhex-3-yl butyl ester. Terephthalic acid, heptyl 2-methylpent-3-yl ester. Isophthalic acid, isobutyl 2-methylcyclohexyl ester. Terephthalic acid, dodecyl 2-methylpent-3-yl ester. Terephthalic acid, decyl 2-methylpent-3-yl ester. Terephthalic acid, 2-methylpent-3-yl tridecyl ester. Terephthalic acid, 2-methylpent-3-yl octyl ester. Terephthalic acid, 2-methylpent-3-yl undecyl ester. Terephthalic acid, 2-methylpent-3-yl tetradecyl ester. Terephthalic acid, 2-methylpent-3-yl nonyl ester.

Find more compounds similar to Terephthalic acid, isobutyl 4-methylhept-3-yl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.