Chemical Properties of Dimethylmalonic acid, 2-bromo-4-fluorophenyl ethyl ester

Dimethylmalonic acid, 2-bromo-4-fluorophenyl ethyl ester

InChI
InChI=1S/C13H14BrFO4/c1-4-18-11(16)13(2,3)12(17)19-10-6-5-8(15)7-9(10)14/h5-7H,4H2,1-3H3
InChI Key
BTIHOIGJBJUHMU-UHFFFAOYSA-N
Formula
C13H14BrFO4
SMILES
CCOC(=O)C(C)(C)C(=O)Oc1ccc(F)cc1Br
Molecular Weight1
333.15
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Physical Properties

Property Value Unit Source
ΔfusH° 32.38 kJ/mol Joback Calculated Property
logPoct/wat 3.083 Crippen Calculated Property
McVol 204.420 ml/mol McGowan Calculated Property
Inp [1735.00; 1735.00]   Show Hide
Inp 1735.00 NIST
Inp 1735.00 NIST
Tboil 563.84 K Relay (1.0) Calculated Property
Tfus 300.09 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, 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 [282.51; 599.23] 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 A2.63910e+01
Coefficient B1.10716e+00
Coefficient C-6.50920e-04
Coefficient D1.16600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 282.51 J/mol×K 273.00 Calculated Property
Cp,gas 341.77 J/mol×K 353.78 Calculated Property
Cp,gas 394.16 J/mol×K 434.56 Calculated Property
Cp,gas 440.04 J/mol×K 515.33 Calculated Property
Cp,gas 479.78 J/mol×K 596.11 Calculated Property
Cp,gas 513.74 J/mol×K 676.89 Calculated Property
Cp,gas 542.30 J/mol×K 757.67 Calculated Property
Cp,gas 565.82 J/mol×K 838.44 Calculated Property
Cp,gas 584.67 J/mol×K 919.22 Calculated Property
Cp,gas 599.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl isobutyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl butyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl pentyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl nonyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl octyl ester. Dimethylmalonic acid, di(2-bromo-4-fluorophenyl) ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl isohexyl ester. Dimethylmalonic acid, monochloride, 2-bromo-4-fluorophenyl ester. Sebacic acid, 2-bromo-4-fluorophenyl ethyl ester. Sebacic acid, 2-bromo-4-fluorophenyl isobutyl ester. Succinic acid, 2-bromo-4-fluorophenyl 2-ethoxyethyl ester. Sebacic acid, 2-bromo-4-fluorophenyl propyl ester. Diethylmalonic acid, 4-bromophenyl ethyl ester.

Find more compounds similar to Dimethylmalonic acid, 2-bromo-4-fluorophenyl ethyl ester.

Sources

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