Chemical Properties of Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester

Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester

InChI
InChI=1S/C24H36ClFO4/c1-4-5-6-7-8-9-10-11-12-13-14-18-29-22(27)24(2,3)23(28)30-21-19(25)16-15-17-20(21)26/h15-17H,4-14,18H2,1-3H3
InChI Key
LOQPSXKMYKQOIC-UHFFFAOYSA-N
Formula
C24H36ClFO4
SMILES
CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
442.99
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° 59.78 kJ/mol Joback Calculated Property
log10WS -7.32 Relay (1.0) Calculated Property
logPoct/wat 7.265 Crippen Calculated Property
McVol 354.150 ml/mol McGowan Calculated Property
Pc 932.92 kPa Joback Calculated Property
Inp [2760.00; 2760.00]   Show Hide
Inp 2760.00 NIST
Inp 2760.00 NIST
Tboil 629.86 K Relay (1.0) Calculated Property
Tfus 310.22 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [515.27; 1165.93] 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 A2.10920e+01
Coefficient B2.12076e+00
Coefficient C-1.19832e-03
Coefficient D2.22400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 515.27 J/mol×K 273.00 Calculated Property
Cp,gas 631.24 J/mol×K 353.78 Calculated Property
Cp,gas 734.64 J/mol×K 434.56 Calculated Property
Cp,gas 826.19 J/mol×K 515.33 Calculated Property
Cp,gas 906.59 J/mol×K 596.11 Calculated Property
Cp,gas 976.54 J/mol×K 676.89 Calculated Property
Cp,gas 1036.75 J/mol×K 757.67 Calculated Property
Cp,gas 1087.91 J/mol×K 838.44 Calculated Property
Cp,gas 1130.74 J/mol×K 919.22 Calculated Property
Cp,gas 1165.93 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl isohexyl ester. Dimethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester.

Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl 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.