Chemical Properties of Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester

InChI
InChI=1S/C14H22BrF3O4/c1-5-13(6-2,11(19)21-8-9(3)4)12(20)22-10(7-15)14(16,17)18/h9-10H,5-8H2,1-4H3
InChI Key
LISDAQXZDFIOQB-UHFFFAOYSA-N
Formula
C14H22BrF3O4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
391.22
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Physical Properties

Property Value Unit Source
ΔfH°gas -1595.14 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.40 kJ/mol Joback Calculated Property
ΔvapH° 77.28 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.861 Crippen Calculated Property
McVol 245.810 ml/mol McGowan Calculated Property
Inp 1521.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [370.18; 792.11] 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 A1.51340e+01
Coefficient B1.56128e+00
Coefficient C-1.01920e-03
Coefficient D2.34900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 370.18 J/mol×K 273.00 Calculated Property
Cp,gas 450.32 J/mol×K 353.78 Calculated Property
Cp,gas 520.41 J/mol×K 434.56 Calculated Property
Cp,gas 581.19 J/mol×K 515.33 Calculated Property
Cp,gas 633.42 J/mol×K 596.11 Calculated Property
Cp,gas 677.82 J/mol×K 676.89 Calculated Property
Cp,gas 715.15 J/mol×K 757.67 Calculated Property
Cp,gas 746.15 J/mol×K 838.44 Calculated Property
Cp,gas 771.55 J/mol×K 919.22 Calculated Property
Cp,gas 792.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl propyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl ethyl ester. Diethylmalonic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Diethylmalonic acid, di(1-bromo-3,3,3-trifluoroprop-2-yl) ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester.

Find more compounds similar to Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester.

Sources

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