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

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

InChI
InChI=1S/C22H38BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-29-19(27)21(5-2,6-3)20(28)30-18(17-23)22(24,25)26/h18H,4-17H2,1-3H3
InChI Key
PZSUKTMAIWOWOP-UHFFFAOYSA-N
Formula
C22H38BrF3O4
SMILES
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
503.44
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Physical Properties

Property Value Unit Source
ΔfusH° 57.65 kJ/mol Joback Calculated Property
log10WS -6.86 Relay (1.0) Calculated Property
logPoct/wat 7.126 Crippen Calculated Property
McVol 358.530 ml/mol McGowan Calculated Property
Inp [2341.00; 2341.00]   Show Hide
Inp 2341.00 NIST
Inp 2341.00 NIST
Tboil 633.44 K Relay (1.0) Calculated Property
Tfus 310.19 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 [540.21; 1204.30] 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 A9.54400e+00
Coefficient B2.31536e+00
Coefficient C-1.45120e-03
Coefficient D3.30600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 540.21 J/mol×K 273.00 Calculated Property
Cp,gas 661.68 J/mol×K 353.78 Calculated Property
Cp,gas 768.78 J/mol×K 434.56 Calculated Property
Cp,gas 862.58 J/mol×K 515.33 Calculated Property
Cp,gas 944.10 J/mol×K 596.11 Calculated Property
Cp,gas 1014.41 J/mol×K 676.89 Calculated Property
Cp,gas 1074.53 J/mol×K 757.67 Calculated Property
Cp,gas 1125.53 J/mol×K 838.44 Calculated Property
Cp,gas 1168.44 J/mol×K 919.22 Calculated Property
Cp,gas 1204.30 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 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 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 dodecyl ester.

Sources

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