Chemical Properties of Dimethylmalonic acid, 3,5-difluorophenyl propyl ester

Dimethylmalonic acid, 3,5-difluorophenyl propyl ester

InChI
InChI=1S/C14H16F2O4/c1-4-5-19-12(17)14(2,3)13(18)20-11-7-9(15)6-10(16)8-11/h6-8H,4-5H2,1-3H3
InChI Key
FOYYUTDRAJGIMI-UHFFFAOYSA-N
Formula
C14H16F2O4
SMILES
CCCOC(=O)C(C)(C)C(=O)Oc1cc(F)cc(F)c1
Molecular Weight1
286.27
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Physical Properties

Property Value Unit Source
ΔfusH° 32.76 kJ/mol Joback Calculated Property
ΔvapH° 73.74 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.850 Crippen Calculated Property
McVol 202.780 ml/mol McGowan Calculated Property
Inp [1536.00; 1536.00]   Show Hide
Inp 1536.00 NIST
Inp 1536.00 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, 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 [297.93; 648.82] 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 A2.33820e+01
Coefficient B1.17576e+00
Coefficient C-6.50320e-04
Coefficient D1.00000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 297.93 J/mol×K 273.00 Calculated Property
Cp,gas 362.37 J/mol×K 353.78 Calculated Property
Cp,gas 419.72 J/mol×K 434.56 Calculated Property
Cp,gas 470.27 J/mol×K 515.33 Calculated Property
Cp,gas 514.36 J/mol×K 596.11 Calculated Property
Cp,gas 552.29 J/mol×K 676.89 Calculated Property
Cp,gas 584.39 J/mol×K 757.67 Calculated Property
Cp,gas 610.97 J/mol×K 838.44 Calculated Property
Cp,gas 632.34 J/mol×K 919.22 Calculated Property
Cp,gas 648.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, butyl 3,5-difluorophenyl ester. Dimethylmalonic acid, 3,5-difluorophenyl pentyl ester. Dimethylmalonic acid, propyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, 3,5-difluorophenyl isohexyl ester. Dimethylmalonic acid, 4-chlorophenyl propyl ester. Dimethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, butyl phenyl ester. Dimethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, 3-fluorophenyl propyl ester. Dimethylmalonic acid, butyl 4-chlorophenyl ester. Dimethylmalonic acid, isobutyl phenyl ester. Dimethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, octyl 2,3,4-trifluorophenyl ester.

Find more compounds similar to Dimethylmalonic acid, 3,5-difluorophenyl propyl ester.

Sources

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