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

Dimethylmalonic acid, 3,5-difluorophenyl pentyl ester

InChI
InChI=1S/C16H20F2O4/c1-4-5-6-7-21-14(19)16(2,3)15(20)22-13-9-11(17)8-12(18)10-13/h8-10H,4-7H2,1-3H3
InChI Key
IIIFVDOBFUDRGI-UHFFFAOYSA-N
Formula
C16H20F2O4
SMILES
CCCCCOC(=O)C(C)(C)C(=O)Oc1cc(F)cc(F)c1
Molecular Weight1
314.32
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Physical Properties

Property Value Unit Source
ΔfH°gas -1136.77 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.94 kJ/mol Joback Calculated Property
ΔvapH° 80.54 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.630 Crippen Calculated Property
McVol 230.960 ml/mol McGowan Calculated Property
Inp [1712.00; 1712.00]   Show Hide
Inp 1712.00 NIST
Inp 1712.00 NIST
Tboil 561.72 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 [340.36; 752.00] 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 A2.15640e+01
Coefficient B1.36576e+00
Coefficient C-7.59120e-04
Coefficient D1.23800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 340.36 J/mol×K 273.00 Calculated Property
Cp,gas 415.21 J/mol×K 353.78 Calculated Property
Cp,gas 481.87 J/mol×K 434.56 Calculated Property
Cp,gas 540.73 J/mol×K 515.33 Calculated Property
Cp,gas 592.18 J/mol×K 596.11 Calculated Property
Cp,gas 636.61 J/mol×K 676.89 Calculated Property
Cp,gas 674.42 J/mol×K 757.67 Calculated Property
Cp,gas 705.99 J/mol×K 838.44 Calculated Property
Cp,gas 731.72 J/mol×K 919.22 Calculated Property
Cp,gas 752.00 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 3,5-difluorophenyl isohexyl ester. Dimethylmalonic acid, butyl 3,5-difluorophenyl ester. Dimethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, 3,5-difluorophenyl propyl ester. Dimethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, hexadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Dimethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, octyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester.

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

Sources

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