Chemical Properties of Diethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester

Diethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester

InChI
InChI=1S/C24H36ClFO4/c1-4-7-8-9-10-11-12-13-14-18-29-22(27)24(5-2,6-3)23(28)30-21-19(25)16-15-17-20(21)26/h15-17H,4-14,18H2,1-3H3
InChI Key
OSEGFJLXYHDSQM-UHFFFAOYSA-N
Formula
C24H36ClFO4
SMILES
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
442.99
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Physical Properties

Property Value Unit Source
ΔfusH° 59.78 kJ/mol Joback Calculated Property
logPoct/wat 7.265 Crippen Calculated Property
McVol 354.150 ml/mol McGowan Calculated Property
Inp [2764.00; 2764.00]   Show Hide
Inp 2764.00 NIST
Inp 2764.00 NIST
Tboil 636.23 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [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

Diethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hepyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Diethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl propyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptadecyl ester.

Find more compounds similar to Diethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester.

Sources

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