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

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

InChI
InChI=1S/C17H28BrF3O4/c1-6-9-12(11(4)5)24-14(22)16(7-2,8-3)15(23)25-13(10-18)17(19,20)21/h11-13H,6-10H2,1-5H3
InChI Key
FMNMCMIPRRFQGF-UHFFFAOYSA-N
Formula
C17H28BrF3O4
SMILES
CCCC(OC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F)C(C)C
Molecular Weight1
433.30
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Physical Properties

Property Value Unit Source
ΔfusH° 37.65 kJ/mol Joback Calculated Property
logPoct/wat 5.030 Crippen Calculated Property
McVol 288.080 ml/mol McGowan Calculated Property
Inp [1730.00; 1730.00]   Show Hide
Inp 1730.00 NIST
Inp 1730.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [433.51; 947.43] 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 A1.07250e+01
Coefficient B1.85220e+00
Coefficient C-1.18560e-03
Coefficient D2.70100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 433.51 J/mol×K 273.00 Calculated Property
Cp,gas 529.56 J/mol×K 353.78 Calculated Property
Cp,gas 613.89 J/mol×K 434.56 Calculated Property
Cp,gas 687.33 J/mol×K 515.33 Calculated Property
Cp,gas 750.76 J/mol×K 596.11 Calculated Property
Cp,gas 805.01 J/mol×K 676.89 Calculated Property
Cp,gas 850.95 J/mol×K 757.67 Calculated Property
Cp,gas 889.43 J/mol×K 838.44 Calculated Property
Cp,gas 921.30 J/mol×K 919.22 Calculated Property
Cp,gas 947.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 2-methylhex-3-yl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, 2-methylhex-3-yl 4-methylpent-2-yl ester. Diethylmalonic acid, 2-methylhex-3-yl 2-octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl 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 octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl 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 tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester.

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

Sources

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