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

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

InChI
InChI=1S/C18H24BrFO4/c1-4-5-6-7-8-11-23-16(21)18(2,3)17(22)24-15-10-9-13(20)12-14(15)19/h9-10,12H,4-8,11H2,1-3H3
InChI Key
GZPYYKMILXYCAZ-UHFFFAOYSA-N
Formula
C18H24BrFO4
SMILES
CCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)cc1Br
Molecular Weight1
403.28
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Physical Properties

Property Value Unit Source
ΔfusH° 45.33 kJ/mol Joback Calculated Property
logPoct/wat 5.033 Crippen Calculated Property
McVol 274.870 ml/mol McGowan Calculated Property
Inp [2199.00; 2199.00]   Show Hide
Inp 2199.00 NIST
Inp 2199.00 NIST
Tboil 613.21 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [388.57; 857.19] 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 A2.18460e+01
Coefficient B1.58216e+00
Coefficient C-9.22920e-04
Coefficient D1.76100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 388.57 J/mol×K 273.00 Calculated Property
Cp,gas 473.86 J/mol×K 353.78 Calculated Property
Cp,gas 549.55 J/mol×K 434.56 Calculated Property
Cp,gas 616.19 J/mol×K 515.33 Calculated Property
Cp,gas 674.33 J/mol×K 596.11 Calculated Property
Cp,gas 724.55 J/mol×K 676.89 Calculated Property
Cp,gas 767.38 J/mol×K 757.67 Calculated Property
Cp,gas 803.39 J/mol×K 838.44 Calculated Property
Cp,gas 833.14 J/mol×K 919.22 Calculated Property
Cp,gas 857.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-bromo-4-fluorophenyl octyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl nonyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl pentyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl butyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl isohexyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl isobutyl ester. Sebacic acid, 2-bromo-4-fluorophenyl decyl ester. Sebacic acid, 2-bromo-4-fluorophenyl octyl ester. Sebacic acid, 2-bromo-4-fluorophenyl hexyl ester. Sebacic acid, 2-bromo-4-fluorophenyl dodecyl ester. Sebacic acid, 2-bromo-4-fluorophenyl heptyl ester. Sebacic acid, 2-bromo-4-fluorophenyl nonyl ester. Sebacic acid, 2-bromo-4-fluorophenyl undecyl ester. Sebacic acid, 2-bromo-4-fluorophenyl pentyl ester.

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

Sources

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