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

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

InChI
InChI=1S/C20H28ClFO4/c1-4-7-8-9-10-14-25-18(23)20(5-2,6-3)19(24)26-17-15(21)12-11-13-16(17)22/h11-13H,4-10,14H2,1-3H3
InChI Key
NNISHEYQQAHUHW-UHFFFAOYSA-N
Formula
C20H28ClFO4
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
386.88
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Physical Properties

Property Value Unit Source
ΔfusH° 49.42 kJ/mol Joback Calculated Property
logPoct/wat 5.704 Crippen Calculated Property
McVol 297.790 ml/mol McGowan Calculated Property
Inp [2350.00; 2350.00]   Show Hide
Inp 2350.00 NIST
Inp 2350.00 NIST
Tboil 607.05 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 [430.42; 959.57] 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 A2.47280e+01
Coefficient B1.74076e+00
Coefficient C-9.80720e-04
Coefficient D1.74800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 430.42 J/mol×K 273.00 Calculated Property
Cp,gas 525.56 J/mol×K 353.78 Calculated Property
Cp,gas 610.33 J/mol×K 434.56 Calculated Property
Cp,gas 685.27 J/mol×K 515.33 Calculated Property
Cp,gas 750.94 J/mol×K 596.11 Calculated Property
Cp,gas 807.90 J/mol×K 676.89 Calculated Property
Cp,gas 856.68 J/mol×K 757.67 Calculated Property
Cp,gas 897.85 J/mol×K 838.44 Calculated Property
Cp,gas 931.96 J/mol×K 919.22 Calculated Property
Cp,gas 959.57 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 undecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl decyl 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 hepyl ester.

Sources

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