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

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

InChI
InChI=1S/C20H28BrFO4/c1-4-5-6-7-8-9-10-13-25-18(23)20(2,3)19(24)26-17-12-11-15(22)14-16(17)21/h11-12,14H,4-10,13H2,1-3H3
InChI Key
DQGMXGIZIUYZCU-UHFFFAOYSA-N
Formula
C20H28BrFO4
SMILES
CCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)cc1Br
Molecular Weight1
431.34
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Physical Properties

Property Value Unit Source
ΔfusH° 50.51 kJ/mol Joback Calculated Property
logPoct/wat 5.814 Crippen Calculated Property
McVol 303.050 ml/mol McGowan Calculated Property
Inp [2399.00; 2399.00]   Show Hide
Inp 2399.00 NIST
Inp 2399.00 NIST
Tboil 628.82 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 [431.00; 960.37] 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 A2.00280e+01
Coefficient B1.77216e+00
Coefficient C-1.03172e-03
Coefficient D1.99900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 431.00 J/mol×K 273.00 Calculated Property
Cp,gas 526.70 J/mol×K 353.78 Calculated Property
Cp,gas 611.71 J/mol×K 434.56 Calculated Property
Cp,gas 686.65 J/mol×K 515.33 Calculated Property
Cp,gas 752.16 J/mol×K 596.11 Calculated Property
Cp,gas 808.87 J/mol×K 676.89 Calculated Property
Cp,gas 857.41 J/mol×K 757.67 Calculated Property
Cp,gas 898.42 J/mol×K 838.44 Calculated Property
Cp,gas 932.53 J/mol×K 919.22 Calculated Property
Cp,gas 960.37 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-bromo-4-fluorophenyl octyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl heptyl 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 dodecyl ester. Sebacic acid, 2-bromo-4-fluorophenyl decyl ester. Sebacic acid, 2-bromo-4-fluorophenyl hexyl ester. Sebacic acid, 2-bromo-4-fluorophenyl nonyl ester. Sebacic acid, 2-bromo-4-fluorophenyl octyl ester. Sebacic acid, 2-bromo-4-fluorophenyl heptyl 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 nonyl ester.

Sources

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