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

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

InChI
InChI=1S/C21H36BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-28-18(26)20(5-2,6-3)19(27)29-17(16-22)21(23,24)25/h17H,4-16H2,1-3H3
InChI Key
ZPJQCJZFULVDIK-UHFFFAOYSA-N
Formula
C21H36BrF3O4
SMILES
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
489.41
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Physical Properties

Property Value Unit Source
ΔfusH° 55.06 kJ/mol Joback Calculated Property
log10WS -6.57 Relay (1.0) Calculated Property
logPoct/wat 6.736 Crippen Calculated Property
McVol 344.440 ml/mol McGowan Calculated Property
Inp [2242.00; 2242.00]   Show Hide
Inp 2242.00 NIST
Inp 2242.00 NIST
Tboil 624.97 K Relay (1.0) Calculated Property
Tfus 307.40 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 [518.99; 1152.71] 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 A1.04530e+01
Coefficient B2.22036e+00
Coefficient C-1.39680e-03
Coefficient D3.18700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 518.99 J/mol×K 273.00 Calculated Property
Cp,gas 635.26 J/mol×K 353.78 Calculated Property
Cp,gas 737.71 J/mol×K 434.56 Calculated Property
Cp,gas 827.35 J/mol×K 515.33 Calculated Property
Cp,gas 905.19 J/mol×K 596.11 Calculated Property
Cp,gas 972.25 J/mol×K 676.89 Calculated Property
Cp,gas 1029.52 J/mol×K 757.67 Calculated Property
Cp,gas 1078.01 J/mol×K 838.44 Calculated Property
Cp,gas 1118.74 J/mol×K 919.22 Calculated Property
Cp,gas 1152.71 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 tetradecyl 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 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 undecyl ester.

Sources

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