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

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

InChI
InChI=1S/C13H20BrF3O4/c1-4-7-20-10(18)12(5-2,6-3)11(19)21-9(8-14)13(15,16)17/h9H,4-8H2,1-3H3
InChI Key
AEAJPIRVFYEUGT-UHFFFAOYSA-N
Formula
C13H20BrF3O4
SMILES
CCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
377.19
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Physical Properties

Property Value Unit Source
ΔfusH° 34.34 kJ/mol Joback Calculated Property
logPoct/wat 3.615 Crippen Calculated Property
McVol 231.720 ml/mol McGowan Calculated Property
Inp [1474.00; 1474.00]   Show Hide
Inp 1474.00 NIST
Inp 1474.00 NIST
Tboil 541.93 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 [349.28; 739.99] 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 A1.77250e+01
Coefficient B1.46036e+00
Coefficient C-9.61600e-04
Coefficient D2.23500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 349.28 J/mol×K 273.00 Calculated Property
Cp,gas 423.91 J/mol×K 353.78 Calculated Property
Cp,gas 489.09 J/mol×K 434.56 Calculated Property
Cp,gas 545.51 J/mol×K 515.33 Calculated Property
Cp,gas 593.90 J/mol×K 596.11 Calculated Property
Cp,gas 634.96 J/mol×K 676.89 Calculated Property
Cp,gas 669.39 J/mol×K 757.67 Calculated Property
Cp,gas 697.90 J/mol×K 838.44 Calculated Property
Cp,gas 721.19 J/mol×K 919.22 Calculated Property
Cp,gas 739.99 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl ethyl 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, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester.

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

Sources

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