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

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

InChI
InChI=1S/C14H16BrFO5/c1-9(2)6-20-13(17)7-19-8-14(18)21-12-4-3-10(16)5-11(12)15/h3-5,9H,6-8H2,1-2H3
InChI Key
OKVXSKIOEAFEHK-UHFFFAOYSA-N
Formula
C14H16BrFO5
SMILES
CC(C)COC(=O)COCC(=O)Oc1ccc(F)cc1Br
Molecular Weight1
363.18
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
Δfus 36.88 kJ/mol Joback Calculated Property
logPoct/wat 2.709 Crippen Calculated Property
McVol 224.380 ml/mol McGowan Calculated Property
Inp [2727.00; 2727.00]   Show Hide
Inp 2727.00 NIST
Inp 2727.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [610.60; 668.72] J/mol×K [796.35; 1007.69] Show Hide
Cp,gas 610.60 J/mol×K 796.35 Joback Calculated Property
Cp,gas 622.69 J/mol×K 831.57 Joback Calculated Property
Cp,gas 633.82 J/mol×K 866.80 Joback Calculated Property
Cp,gas 644.00 J/mol×K 902.02 Joback Calculated Property
Cp,gas 653.21 J/mol×K 937.25 Joback Calculated Property
Cp,gas 661.45 J/mol×K 972.47 Joback Calculated Property
Cp,gas 668.72 J/mol×K 1007.69 Joback Calculated Property

Similar Compounds

Diglycolic acid, 2-bromo-4-fluorophenyl propyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl butyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl pentyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl isohexyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl hexyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl nonyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl heptyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl decyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl octyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl ethyl ester. Diglycolic acid, 4-bromophenyl isobutyl ester. Diglycolic acid, isobutyl 4-methoxyphenyl ester. Sebacic acid, 2-bromo-4-fluorophenyl isobutyl ester. Diglycolic acid, 4-chlorophenyl isobutyl ester. Diglycolic acid, isobutyl 2-methoxyphenyl ester.

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