Chemical Properties of Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester

Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester

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

Property Value Unit Source
ΔfH°gas -1578.22 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.34 kJ/mol Joback Calculated Property
ΔvapH° 71.71 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.615 Crippen Calculated Property
McVol 231.720 ml/mol McGowan Calculated Property
Inp [1532.00; 1532.00]   Show Hide
Inp 1532.00 NIST
Inp 1532.00 NIST
Tboil 534.18 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [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

Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isohexyl 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 hexadecyl 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 decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl ester.

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

Sources

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