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

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

InChI
InChI=1S/C26H40ClFO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-24(29)26(2,3)25(30)32-23-21(27)18-17-19-22(23)28/h17-19H,4-16,20H2,1-3H3
InChI Key
WOFRFGLBJULXBX-UHFFFAOYSA-N
Formula
C26H40ClFO4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
471.05
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Physical Properties

Property Value Unit Source
ΔfusH° 64.96 kJ/mol Joback Calculated Property
log10WS -7.86 Relay (1.0) Calculated Property
logPoct/wat 8.045 Crippen Calculated Property
McVol 382.330 ml/mol McGowan Calculated Property
Pc 832.42 kPa Joback Calculated Property
Inp [2986.00; 2986.00]   Show Hide
Inp 2986.00 NIST
Inp 2986.00 NIST
Tboil 643.94 K Relay (1.0) Calculated Property
Tfus 314.75 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 [557.70; 1269.11] 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 A1.92740e+01
Coefficient B2.31076e+00
Coefficient C-1.30712e-03
Coefficient D2.46200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 557.70 J/mol×K 273.00 Calculated Property
Cp,gas 684.07 J/mol×K 353.78 Calculated Property
Cp,gas 796.80 J/mol×K 434.56 Calculated Property
Cp,gas 896.65 J/mol×K 515.33 Calculated Property
Cp,gas 984.41 J/mol×K 596.11 Calculated Property
Cp,gas 1060.86 J/mol×K 676.89 Calculated Property
Cp,gas 1126.78 J/mol×K 757.67 Calculated Property
Cp,gas 1182.94 J/mol×K 838.44 Calculated Property
Cp,gas 1230.13 J/mol×K 919.22 Calculated Property
Cp,gas 1269.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl 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 hepyl ester.

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

Sources

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