Chemical Properties of Glutaric acid, cyclohexylmethyl 2-bromo-4-fluorophenyl ester

Glutaric acid, cyclohexylmethyl 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C18H22BrFO4/c19-15-11-14(20)9-10-16(15)24-18(22)8-4-7-17(21)23-12-13-5-2-1-3-6-13/h9-11,13H,1-8,12H2
InChI Key
YTUFOOLPRFGFFZ-UHFFFAOYSA-N
Formula
C18H22BrFO4
SMILES
O=C(CCCC(=O)Oc1ccc(F)cc1Br)OCC1CCCCC1
Molecular Weight1
401.27
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° 44.58 kJ/mol Joback Calculated Property
logPoct/wat 4.787 Crippen Calculated Property
McVol 264.010 ml/mol McGowan Calculated Property
Inp [2585.00; 2585.00]   Show Hide
Inp 2585.00 NIST
Inp 2585.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [351.92; 840.79] 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 A-1.92860e+01
Coefficient B1.57840e+00
Coefficient C-8.32120e-04
Coefficient D1.13800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 351.92 J/mol×K 273.00 Calculated Property
Cp,gas 440.01 J/mol×K 353.78 Calculated Property
Cp,gas 518.82 J/mol×K 434.56 Calculated Property
Cp,gas 588.71 J/mol×K 515.33 Calculated Property
Cp,gas 650.03 J/mol×K 596.11 Calculated Property
Cp,gas 703.15 J/mol×K 676.89 Calculated Property
Cp,gas 748.43 J/mol×K 757.67 Calculated Property
Cp,gas 786.22 J/mol×K 838.44 Calculated Property
Cp,gas 816.89 J/mol×K 919.22 Calculated Property
Cp,gas 840.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2-ethylhexyl 2-bromo-4-fluorophenyl ester. Succinic acid, cyclohexylmethyl 2-bromo-4-fluorophenyl ester. Sebacic acid, 2-bromo-4-fluorophenyl isohexyl ester. Sebacic acid, 2-bromo-4-fluorophenyl isobutyl ester. Glutaric acid, 2-methylpent-3-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, cyclohexylmethyl 4-bromophenyl ester. Glutaric acid, 2-ethylhexyl 4-bromophenyl ester. Sebacic acid, 2-bromo-4-fluorophenyl undecyl ester. Sebacic acid, 2-bromo-4-fluorophenyl dodecyl ester. Sebacic acid, 2-bromo-4-fluorophenyl octyl ester. Sebacic acid, 2-bromo-4-fluorophenyl nonyl ester. Sebacic acid, 2-bromo-4-fluorophenyl hexyl ester. Sebacic acid, 2-bromo-4-fluorophenyl heptyl ester. Sebacic acid, 2-bromo-4-fluorophenyl decyl ester. Sebacic acid, 2-bromo-4-fluorophenyl pentyl ester.

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-bromo-4-fluorophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.