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

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

InChI
InChI=1S/C15H24BrF3O4/c1-4-5-6-7-8-9-22-12(20)14(2,3)13(21)23-11(10-16)15(17,18)19/h11H,4-10H2,1-3H3
InChI Key
SDNGZIJMIAAPQS-UHFFFAOYSA-N
Formula
C15H24BrF3O4
SMILES
CCCCCCCOC(=O)C(C)(C)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
405.25
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Physical Properties

Property Value Unit Source
ΔfH°gas -1617.54 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.52 kJ/mol Joback Calculated Property
ΔvapH° 78.65 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.395 Crippen Calculated Property
McVol 259.900 ml/mol McGowan Calculated Property
Inp [1718.00; 1718.00]   Show Hide
Inp 1718.00 NIST
Inp 1718.00 NIST
Tboil 558.99 K Relay (1.0) Calculated Property
Tfus 284.27 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [391.71; 843.17] 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 A1.59070e+01
Coefficient B1.65036e+00
Coefficient C-1.07040e-03
Coefficient D2.47300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 391.71 J/mol×K 273.00 Calculated Property
Cp,gas 476.75 J/mol×K 353.78 Calculated Property
Cp,gas 551.24 J/mol×K 434.56 Calculated Property
Cp,gas 615.97 J/mol×K 515.33 Calculated Property
Cp,gas 671.72 J/mol×K 596.11 Calculated Property
Cp,gas 719.28 J/mol×K 676.89 Calculated Property
Cp,gas 759.42 J/mol×K 757.67 Calculated Property
Cp,gas 792.93 J/mol×K 838.44 Calculated Property
Cp,gas 820.58 J/mol×K 919.22 Calculated Property
Cp,gas 843.17 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 pentyl ester. Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isohexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl 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 tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl 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 dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester.

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

Sources

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