Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 4-methylpent-2-yl ester

Succinic acid, 2-chloro-6-fluorophenyl 4-methylpent-2-yl ester

InChI
InChI=1S/C16H20ClFO4/c1-10(2)9-11(3)21-14(19)7-8-15(20)22-16-12(17)5-4-6-13(16)18/h4-6,10-11H,7-9H2,1-3H3
InChI Key
WPYJXEOUOZUVJY-UHFFFAOYSA-N
Formula
C16H20ClFO4
SMILES
CC(C)CC(C)OC(=O)CCC(=O)Oc1c(F)cccc1Cl
Molecular Weight1
330.78
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° 39.43 kJ/mol Joback Calculated Property
logPoct/wat 4.143 Crippen Calculated Property
McVol 241.430 ml/mol McGowan Calculated Property
Inp [2030.00; 2030.00]   Show Hide
Inp 2030.00 NIST
Inp 2030.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [346.40; 752.81] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.94730e+01
Coefficient B1.24676e+00
Coefficient C-5.97720e-04
Coefficient D5.43000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 346.40 J/mol×K 273.00 Calculated Property
Cp,gas 418.14 J/mol×K 353.78 Calculated Property
Cp,gas 482.84 J/mol×K 434.56 Calculated Property
Cp,gas 540.67 J/mol×K 515.33 Calculated Property
Cp,gas 591.78 J/mol×K 596.11 Calculated Property
Cp,gas 636.37 J/mol×K 676.89 Calculated Property
Cp,gas 674.59 J/mol×K 757.67 Calculated Property
Cp,gas 706.63 J/mol×K 838.44 Calculated Property
Cp,gas 732.64 J/mol×K 919.22 Calculated Property
Cp,gas 752.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2-chloro-6-fluorophenyl 4-methylpent-2-yl ester. Succinic acid, 2-chloro-6-fluorophenyl 2-pentyl ester. Succinic acid, 2-chloro-6-fluorophenyl cis-4-methylcyclohexyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2-hexyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2-heptyl ester. Succinic acid, 2-chloro-6-fluorophenyl 4-heptyl ester. Succinic acid, 2-chloro-6-fluorophenyl cyclopentyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2-octyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2,4-dimethylpent-3-yl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-hexyl ester. Succinic acid, 2-fluorophenyl 4-methylpent-2-yl ester. Succinic acid, 2-chloro-6-fluorophenyl 4-octyl ester. Succinic acid, 2-chloro-6-fluorophenyl trans-4-tert-butylcyclohexyl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-heptyl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-methylpentyl ester.

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 4-methylpent-2-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.
These property values are available through the Cheméo API. A free account gives you an access key.