Chemical Properties of Dimethylmalonic acid, decyl 2-fluoro-3-trifluoromethylphenyl ester

Dimethylmalonic acid, decyl 2-fluoro-3-trifluoromethylphenyl ester

InChI
InChI=1S/C22H30F4O4/c1-4-5-6-7-8-9-10-11-15-29-19(27)21(2,3)20(28)30-17-14-12-13-16(18(17)23)22(24,25)26/h12-14H,4-11,15H2,1-3H3
InChI Key
WHHZNYUWMDQYCA-UHFFFAOYSA-N
Formula
C22H30F4O4
SMILES
CCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
434.46
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Physical Properties

Property Value Unit Source
ΔfusH° 52.23 kJ/mol Joback Calculated Property
logPoct/wat 6.460 Crippen Calculated Property
McVol 319.040 ml/mol McGowan Calculated Property
Inp [2234.00; 2234.00]   Show Hide
Inp 2234.00 NIST
Inp 2234.00 NIST
Tboil 614.62 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 [482.58; 1077.16] 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 A3.81900e+00
Coefficient B2.08516e+00
Coefficient C-1.29012e-03
Coefficient D2.78300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 482.58 J/mol×K 273.00 Calculated Property
Cp,gas 592.36 J/mol×K 353.78 Calculated Property
Cp,gas 689.15 J/mol×K 434.56 Calculated Property
Cp,gas 773.84 J/mol×K 515.33 Calculated Property
Cp,gas 847.32 J/mol×K 596.11 Calculated Property
Cp,gas 910.45 J/mol×K 676.89 Calculated Property
Cp,gas 964.12 J/mol×K 757.67 Calculated Property
Cp,gas 1009.20 J/mol×K 838.44 Calculated Property
Cp,gas 1046.59 J/mol×K 919.22 Calculated Property
Cp,gas 1077.16 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, dodecyl 2-fluoro-3-trifluoromethylphenyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tridecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tetradecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl nonyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl hexadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl undecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl hexyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester. Dimethylmalonic acid, butyl 2-fluoro-3-trifluoromethylphenyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl isohexyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester.

Find more compounds similar to Dimethylmalonic acid, decyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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