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

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

InChI
InChI=1S/C19H26BrFO4/c1-4-5-6-7-8-9-12-24-17(22)19(2,3)18(23)25-16-11-10-14(21)13-15(16)20/h10-11,13H,4-9,12H2,1-3H3
InChI Key
HUWZDMYHBAGNBK-UHFFFAOYSA-N
Formula
C19H26BrFO4
SMILES
CCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)cc1Br
Molecular Weight1
417.31
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 47.92 kJ/mol Joback Calculated Property
logPoct/wat 5.423 Crippen Calculated Property
McVol 288.960 ml/mol McGowan Calculated Property
Inp [2299.00; 2299.00]   Show Hide
Inp 2299.00 NIST
Inp 2299.00 NIST
Tboil 621.11 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 [409.79; 908.78] 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 A2.09370e+01
Coefficient B1.67716e+00
Coefficient C-9.77320e-04
Coefficient D1.88000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 409.79 J/mol×K 273.00 Calculated Property
Cp,gas 500.28 J/mol×K 353.78 Calculated Property
Cp,gas 580.63 J/mol×K 434.56 Calculated Property
Cp,gas 651.42 J/mol×K 515.33 Calculated Property
Cp,gas 713.25 J/mol×K 596.11 Calculated Property
Cp,gas 766.71 J/mol×K 676.89 Calculated Property
Cp,gas 812.40 J/mol×K 757.67 Calculated Property
Cp,gas 850.91 J/mol×K 838.44 Calculated Property
Cp,gas 882.84 J/mol×K 919.22 Calculated Property
Cp,gas 908.78 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.