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

Dimethylmalonic acid, butyl 3,5-difluorophenyl ester

InChI
InChI=1S/C15H18F2O4/c1-4-5-6-20-13(18)15(2,3)14(19)21-12-8-10(16)7-11(17)9-12/h7-9H,4-6H2,1-3H3
InChI Key
WTLCPKVMKGYPCF-UHFFFAOYSA-N
Formula
C15H18F2O4
SMILES
CCCCOC(=O)C(C)(C)C(=O)Oc1cc(F)cc(F)c1
Molecular Weight1
300.30
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Physical Properties

Property Value Unit Source
ΔfH°gas -1118.04 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.35 kJ/mol Joback Calculated Property
ΔvapH° 78.00 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.240 Crippen Calculated Property
McVol 216.870 ml/mol McGowan Calculated Property
Inp [1621.00; 1621.00]   Show Hide
Inp 1621.00 NIST
Inp 1621.00 NIST
Tboil 549.93 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [319.15; 700.41] 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 A2.24730e+01
Coefficient B1.27076e+00
Coefficient C-7.04720e-04
Coefficient D1.11900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 319.15 J/mol×K 273.00 Calculated Property
Cp,gas 388.79 J/mol×K 353.78 Calculated Property
Cp,gas 450.79 J/mol×K 434.56 Calculated Property
Cp,gas 505.50 J/mol×K 515.33 Calculated Property
Cp,gas 553.27 J/mol×K 596.11 Calculated Property
Cp,gas 594.45 J/mol×K 676.89 Calculated Property
Cp,gas 629.41 J/mol×K 757.67 Calculated Property
Cp,gas 658.48 J/mol×K 838.44 Calculated Property
Cp,gas 682.03 J/mol×K 919.22 Calculated Property
Cp,gas 700.41 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 3,5-difluorophenyl pentyl ester. Dimethylmalonic acid, 3,5-difluorophenyl propyl ester. Dimethylmalonic acid, 3,5-difluorophenyl isohexyl ester. Dimethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, butyl phenyl ester. Dimethylmalonic acid, butyl 4-chlorophenyl ester. Dimethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Dimethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester.

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

Sources

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