Chemical Properties of Diglycolic acid, 4-bromophenyl propyl ester

Diglycolic acid, 4-bromophenyl propyl ester

InChI
InChI=1S/C13H15BrO5/c1-2-7-18-12(15)8-17-9-13(16)19-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3
InChI Key
WOGSWIVLFVNZHO-UHFFFAOYSA-N
Formula
C13H15BrO5
SMILES
CCCOC(=O)COCC(=O)Oc1ccc(Br)cc1
Molecular Weight1
331.16
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 38.29 kJ/mol Joback Calculated Property
IE 8.32 eV Relay (1.0) Calculated Property
logPoct/wat 2.324 Crippen Calculated Property
McVol 208.520 ml/mol McGowan Calculated Property
Inp [2633.00; 2633.00]   Show Hide
Inp 2633.00 NIST
Inp 2633.00 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, 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 [542.81; 602.88] J/mol×K [733.72; 947.05] Show Hide
Cp,gas 542.81 J/mol×K 733.72 Joback Calculated Property
Cp,gas 555.33 J/mol×K 769.28 Joback Calculated Property
Cp,gas 566.84 J/mol×K 804.83 Joback Calculated Property
Cp,gas 577.35 J/mol×K 840.39 Joback Calculated Property
Cp,gas 586.86 J/mol×K 875.94 Joback Calculated Property
Cp,gas 595.37 J/mol×K 911.50 Joback Calculated Property
Cp,gas 602.88 J/mol×K 947.05 Joback Calculated Property
η [0.0000698; 0.0007946] Pa×s [441.90; 733.72] Show Hide
η 0.0007946 Pa×s 441.90 Joback Calculated Property
η 0.0004333 Pa×s 490.54 Joback Calculated Property
η 0.0002636 Pa×s 539.17 Joback Calculated Property
η 0.0001741 Pa×s 587.81 Joback Calculated Property
η 0.0001225 Pa×s 636.45 Joback Calculated Property
η 0.0000906 Pa×s 685.08 Joback Calculated Property
η 0.0000698 Pa×s 733.72 Joback Calculated Property

Similar Compounds

Diglycolic acid, 4-bromophenyl isobutyl ester. Diglycolic acid, 4-bromophenyl butyl ester. Diglycolic acid, 4-bromophenyl ethyl ester. Diglycolic acid, 4-bromophenyl pentyl ester. Diglycolic acid, 4-bromophenyl hexyl ester. Diglycolic acid, 4-chlorophenyl propyl ester. Diglycolic acid, 4-bromophenyl octyl ester. Diglycolic acid, 4-bromophenyl heptyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl propyl ester. Diglycolic acid, 4-bromophenyl isohexyl ester. Diglycolic acid, 3-chlorophenyl propyl ester. Diglycolic acid, 2-methoxyphenyl propyl ester. Diglycolic acid, isobutyl 4-methoxyphenyl ester. Diglycolic acid, 3-methylphenyl propyl ester. Diglycolic acid, 2-chlorophenyl propyl ester.

Find more compounds similar to Diglycolic acid, 4-bromophenyl propyl 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.