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

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

InChI
InChI=1S/C16H26BrF3O4/c1-4-7-8-9-10-23-13(21)15(5-2,6-3)14(22)24-12(11-17)16(18,19)20/h12H,4-11H2,1-3H3
InChI Key
UHXGBDATXMOSQN-UHFFFAOYSA-N
Formula
C16H26BrF3O4
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
419.28
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Physical Properties

Property Value Unit Source
ΔfusH° 42.11 kJ/mol Joback Calculated Property
log10WS -4.93 Relay (1.0) Calculated Property
logPoct/wat 4.785 Crippen Calculated Property
McVol 273.990 ml/mol McGowan Calculated Property
Inp 1755.00 NIST
Tboil 576.42 K Relay (1.0) Calculated Property
Tfus 293.41 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [795.25; 870.61] J/mol×K [739.19; 920.24] Show Hide
Cp,gas 795.25 J/mol×K 739.19 Joback Calculated Property
Cp,gas 810.06 J/mol×K 769.37 Joback Calculated Property
Cp,gas 823.92 J/mol×K 799.54 Joback Calculated Property
Cp,gas 836.86 J/mol×K 829.72 Joback Calculated Property
Cp,gas 848.93 J/mol×K 859.89 Joback Calculated Property
Cp,gas 860.17 J/mol×K 890.07 Joback Calculated Property
Cp,gas 870.61 J/mol×K 920.24 Joback Calculated Property

Similar Compounds

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

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

Sources

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