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

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

InChI
InChI=1S/C24H42BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-31-21(29)23(5-2,6-3)22(30)32-20(19-25)24(26,27)28/h20H,4-19H2,1-3H3
InChI Key
USFSMDXQIURBKU-UHFFFAOYSA-N
Formula
C24H42BrF3O4
SMILES
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
531.49
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Physical Properties

Property Value Unit Source
ΔfusH° 62.83 kJ/mol Joback Calculated Property
log10WS -7.41 Relay (1.0) Calculated Property
logPoct/wat 7.906 Crippen Calculated Property
McVol 386.710 ml/mol McGowan Calculated Property
Inp 2544.00 NIST
Tboil 649.91 K Relay (1.0) Calculated Property
Tfus 315.01 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [582.63; 1307.49] 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 A7.72600e+00
Coefficient B2.50536e+00
Coefficient C-1.56000e-03
Coefficient D3.54400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 582.63 J/mol×K 273.00 Calculated Property
Cp,gas 714.51 J/mol×K 353.78 Calculated Property
Cp,gas 830.94 J/mol×K 434.56 Calculated Property
Cp,gas 933.04 J/mol×K 515.33 Calculated Property
Cp,gas 1021.93 J/mol×K 596.11 Calculated Property
Cp,gas 1098.73 J/mol×K 676.89 Calculated Property
Cp,gas 1164.57 J/mol×K 757.67 Calculated Property
Cp,gas 1220.56 J/mol×K 838.44 Calculated Property
Cp,gas 1267.82 J/mol×K 919.22 Calculated Property
Cp,gas 1307.49 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl 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 hexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl propyl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester.

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

Sources

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