Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl cis-4-tert-butylcyclohexyl ester

Glutaric acid, 2-chloro-6-fluorophenyl cis-4-tert-butylcyclohexyl ester

InChI
InChI=1S/C21H28ClFO4/c1-21(2,3)14-10-12-15(13-11-14)26-18(24)8-5-9-19(25)27-20-16(22)6-4-7-17(20)23/h4,6-7,14-15H,5,8-13H2,1-3H3
InChI Key
NVGCGTPYSWKYPJ-UHFFFAOYSA-N
Formula
C21H28ClFO4
SMILES
CC(C)(C)C1CCC(OC(=O)CCCC(=O)Oc2c(F)cccc2Cl)CC1
Molecular Weight1
398.90
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 41.75 kJ/mol Joback Calculated Property
logPoct/wat 5.703 Crippen Calculated Property
McVol 301.020 ml/mol McGowan Calculated Property
Inp [2652.00; 2652.00]   Show Hide
Inp 2652.00 NIST
Inp 2652.00 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 [969.86; 1039.87] J/mol×K [917.45; 1141.28] Show Hide
Cp,gas 969.86 J/mol×K 917.45 Joback Calculated Property
Cp,gas 985.17 J/mol×K 954.75 Joback Calculated Property
Cp,gas 998.97 J/mol×K 992.06 Joback Calculated Property
Cp,gas 1011.29 J/mol×K 1029.36 Joback Calculated Property
Cp,gas 1022.18 J/mol×K 1066.67 Joback Calculated Property
Cp,gas 1031.69 J/mol×K 1103.97 Joback Calculated Property
Cp,gas 1039.87 J/mol×K 1141.28 Joback Calculated Property

Similar Compounds

Glutaric acid, 2-chloro-6-fluorophenyl trans-4-tert-butylcyclohexyl ester. Glutaric acid, 2-ethylcyclohexyl 2-chloro-6-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl trans-4-tert-butylcyclohexyl ester. Glutaric acid, 2-norbornyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-methylhex-3-yl ester. Glutaric acid, 1-cyclopentylethyl 2-chloro-6-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl cis-4-methylcyclohexyl ester. Glutaric acid, 2-fluorophenyl cis-4-tert-butylcyclohexyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-octyl ester. Glutaric acid, hept-2-yl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl hept-4-yl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-methylpent-2-yl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-decyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-octyl ester. Succinic acid, 2-chloro-6-fluorophenyl adamant-2-yl ester.

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl cis-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.