Chemical Properties of Glutaric acid, 3-chlorophenyl trans-4-tert-butylcyclohexyl ester

Glutaric acid, 3-chlorophenyl trans-4-tert-butylcyclohexyl ester

InChI
InChI=1S/C21H29ClO4/c1-21(2,3)15-10-12-17(13-11-15)25-19(23)8-5-9-20(24)26-18-7-4-6-16(22)14-18/h4,6-7,14-15,17H,5,8-13H2,1-3H3
InChI Key
QEEYFQADBLTCOI-UHFFFAOYSA-N
Formula
C21H29ClO4
SMILES
CC(C)(C)C1CCC(OC(=O)CCCC(=O)Oc2cccc(Cl)c2)CC1
Molecular Weight1
380.91
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° 42.22 kJ/mol Joback Calculated Property
IE 8.61 eV Relay (1.0) Calculated Property
logPoct/wat 5.564 Crippen Calculated Property
McVol 299.250 ml/mol McGowan Calculated Property
Inp [2814.00; 2814.00]   Show Hide
Inp 2814.00 NIST
Inp 2814.00 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, 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 [951.15; 1025.86] J/mol×K [877.26; 1102.11] Show Hide
Cp,gas 951.15 J/mol×K 877.26 Joback Calculated Property
Cp,gas 967.59 J/mol×K 914.73 Joback Calculated Property
Cp,gas 982.37 J/mol×K 952.21 Joback Calculated Property
Cp,gas 995.52 J/mol×K 989.68 Joback Calculated Property
Cp,gas 1007.11 J/mol×K 1027.16 Joback Calculated Property
Cp,gas 1017.21 J/mol×K 1064.63 Joback Calculated Property
Cp,gas 1025.86 J/mol×K 1102.11 Joback Calculated Property
η [0.0000329; 0.0007091] Pa×s [485.51; 877.26] Show Hide
η 0.0007091 Pa×s 485.51 Joback Calculated Property
η 0.0003139 Pa×s 550.80 Joback Calculated Property
η 0.0001651 Pa×s 616.09 Joback Calculated Property
η 0.0000983 Pa×s 681.38 Joback Calculated Property
η 0.0000640 Pa×s 746.68 Joback Calculated Property
η 0.0000447 Pa×s 811.97 Joback Calculated Property
η 0.0000329 Pa×s 877.26 Joback Calculated Property

Similar Compounds

Glutaric acid, 2,3-dichlorophenyl cis-4-tert-butylcyclohexyl ester. Glutaric acid, 2,3-dichlorophenyl trans-4-tert-butylcyclohexyl ester. Succinic acid, 3-chlorophenyl trans-4-tert-butylcyclohexyl ester. Glutaric acid, 2-norbornyl 3-chlorophenyl ester. Glutaric acid, 3-chlorophenyl 2-methylhex-3-yl ester. Glutaric acid, 3-chlorophenyl 3-octyl ester. Glutaric acid, 1-cyclopentylethyl 3-chlorophenyl ester. Succinic acid, 2,3-dichlorophenyl trans-4-tert-butylcyclohexyl ester. Pimelic acid, 3-chlorophenyl 4-methyl-2-pentyl ester. Glutaric acid, 3-chlorophenyl 4-methylpent-2-yl ester. Glutaric acid, 2-fluorophenyl cis-4-tert-butylcyclohexyl ester. Glutaric acid, hept-2-yl 3-chlorophenyl ester. Glutaric acid, 3-chlorophenyl 2-octyl ester. Glutaric acid, 3-chlorophenyl hept-4-yl ester. Glutaric acid, 2,3-dichlorophenyl 2-methylhex-3-yl ester.

Find more compounds similar to Glutaric acid, 3-chlorophenyl trans-4-tert-butylcyclohexyl 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.