Chemical Properties of Pimelic acid, 4-chloro-3-methylphenyl 4-methyl-2-pentyl ester

Pimelic acid, 4-chloro-3-methylphenyl 4-methyl-2-pentyl ester

InChI
InChI=1S/C20H29ClO4/c1-14(2)12-16(4)24-19(22)8-6-5-7-9-20(23)25-17-10-11-18(21)15(3)13-17/h10-11,13-14,16H,5-9,12H2,1-4H3
InChI Key
VGQFSCLOXGCTOX-UHFFFAOYSA-N
Formula
C20H29ClO4
SMILES
Cc1cc(OC(=O)CCCCCC(=O)OC(C)CC(C)C)ccc1Cl
Molecular Weight1
368.90
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
Δfus 46.71 kJ/mol Joback Calculated Property
logPoct/wat 5.482 Crippen Calculated Property
McVol 296.020 ml/mol McGowan Calculated Property
Inp [2568.00; 2568.00]   Show Hide
Inp 2568.00 NIST
Inp 2568.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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 [892.92; 966.43] J/mol×K [846.83; 1051.14] Show Hide
Cp,gas 892.92 J/mol×K 846.83 Joback Calculated Property
Cp,gas 908.25 J/mol×K 880.88 Joback Calculated Property
Cp,gas 922.32 J/mol×K 914.93 Joback Calculated Property
Cp,gas 935.15 J/mol×K 948.98 Joback Calculated Property
Cp,gas 946.77 J/mol×K 983.03 Joback Calculated Property
Cp,gas 957.19 J/mol×K 1017.08 Joback Calculated Property
Cp,gas 966.43 J/mol×K 1051.14 Joback Calculated Property
η [0.0000310; 0.0008088] Pa×s [451.20; 846.83] Show Hide
η 0.0008088 Pa×s 451.20 Joback Calculated Property
η 0.0003320 Pa×s 517.14 Joback Calculated Property
η 0.0001667 Pa×s 583.08 Joback Calculated Property
η 0.0000963 Pa×s 649.01 Joback Calculated Property
η 0.0000615 Pa×s 714.95 Joback Calculated Property
η 0.0000424 Pa×s 780.89 Joback Calculated Property
η 0.0000310 Pa×s 846.83 Joback Calculated Property

Similar Compounds

Succinic acid, 4-chloro-3-methylphenyl 4-methylpent-2-yl ester. Glutaric acid, 4-chloro-3-methylphenyl 2-octyl ester. Glutaric acid, 4-chloro-3-methylphenyl 2-pentyl ester. Succinic acid, 4-chloro-3-methylphenyl trans-4-methylcyclohexyl ester. Succinic acid, 4-chloro-3-methylphenyl cis-4-methylcyclohexyl ester. Glutaric acid, 4-chloro-3-methylphenyl 3-octyl ester. Succinic acid, 4-chloro-3-methylphenyl 2-hexyl ester. Succinic acid, 4-chloro-3-methylphenyl 2-heptyl ester. Succinic acid, 4-chloro-3-methylphenyl 2-octyl ester. Succinic acid, 4-chloro-3-methylphenyl 4-heptyl ester. Succinic acid, 4-chloro-3-methylphenyl 3-hexyl ester. Succinic acid, 4-chloro-3-methylphenyl 4-octyl ester. Succinic acid, 4-chloro-3-methylphenyl 3-heptyl ester. Succinic acid, 4-chloro-3-methylphenyl cyclopentyl ester. Succinic acid, 4-chloro-3-methylphenyl 1-cyclopentylethyl ester.

Find more compounds similar to Pimelic acid, 4-chloro-3-methylphenyl 4-methyl-2-pentyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.