Chemical Properties of Diglycolic acid, 2-bromo-4-fluorophenyl isohexyl ester

Diglycolic acid, 2-bromo-4-fluorophenyl isohexyl ester

InChI
InChI=1S/C16H20BrFO5/c1-11(2)4-3-7-22-15(19)9-21-10-16(20)23-14-6-5-12(18)8-13(14)17/h5-6,8,11H,3-4,7,9-10H2,1-2H3
InChI Key
VHUQZNHADJVWID-UHFFFAOYSA-N
Formula
C16H20BrFO5
SMILES
CC(C)CCCOC(=O)COCC(=O)Oc1ccc(F)cc1Br
Molecular Weight1
391.23
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° 45.23 kJ/mol Joback Calculated Property
logPoct/wat 3.490 Crippen Calculated Property
McVol 252.560 ml/mol McGowan Calculated Property
Inp [3022.00; 3022.00]   Show Hide
Inp 3022.00 NIST
Inp 3022.00 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 [362.70; 771.57] 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 A7.19550e+01
Coefficient B1.20904e+00
Coefficient C-5.34520e-04
Coefficient D2.51000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 362.70 J/mol×K 273.00 Calculated Property
Cp,gas 433.90 J/mol×K 353.78 Calculated Property
Cp,gas 498.47 J/mol×K 434.56 Calculated Property
Cp,gas 556.50 J/mol×K 515.33 Calculated Property
Cp,gas 608.05 J/mol×K 596.11 Calculated Property
Cp,gas 653.22 J/mol×K 676.89 Calculated Property
Cp,gas 692.08 J/mol×K 757.67 Calculated Property
Cp,gas 724.70 J/mol×K 838.44 Calculated Property
Cp,gas 751.17 J/mol×K 919.22 Calculated Property
Cp,gas 771.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diglycolic acid, 2-bromo-4-fluorophenyl pentyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl hexyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl heptyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl nonyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl octyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl decyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl butyl ester. Diglycolic acid, 4-bromophenyl isohexyl ester. Sebacic acid, 2-bromo-4-fluorophenyl isohexyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl isobutyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl propyl ester. Diglycolic acid, isohexyl 3-methylphenyl ester. Diglycolic acid, isohexyl 2-naphthyl ester. Diglycolic acid, 4-chlorophenyl isohexyl ester. Succinic acid, cyclohexylmethyl 2-bromo-4-fluorophenyl ester.

Find more compounds similar to Diglycolic acid, 2-bromo-4-fluorophenyl isohexyl 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.