Chemical Properties of Diglycolic acid, 4-bromophenyl isobutyl ester

Diglycolic acid, 4-bromophenyl isobutyl ester

InChI
InChI=1S/C14H17BrO5/c1-10(2)7-19-13(16)8-18-9-14(17)20-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3
InChI Key
FEEBAZSOAHUQMQ-UHFFFAOYSA-N
Formula
C14H17BrO5
SMILES
CC(C)COC(=O)COCC(=O)Oc1ccc(Br)cc1
Molecular Weight1
345.19
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° 34.19 kJ/mol Joback Calculated Property
IE 8.39 eV Relay (1.0) Calculated Property
logPoct/wat 2.570 Crippen Calculated Property
McVol 222.610 ml/mol McGowan Calculated Property
Inp [2701.00; 2701.00]   Show Hide
Inp 2701.00 NIST
Inp 2701.00 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 [604.29; 665.15] J/mol×K [792.10; 1009.85] Show Hide
Cp,gas 604.29 J/mol×K 792.10 Joback Calculated Property
Cp,gas 616.98 J/mol×K 828.39 Joback Calculated Property
Cp,gas 628.65 J/mol×K 864.68 Joback Calculated Property
Cp,gas 639.30 J/mol×K 900.98 Joback Calculated Property
Cp,gas 648.93 J/mol×K 937.27 Joback Calculated Property
Cp,gas 657.55 J/mol×K 973.56 Joback Calculated Property
Cp,gas 665.15 J/mol×K 1009.85 Joback Calculated Property
η [0.0000704; 0.0005657] Pa×s [497.83; 792.10] Show Hide
η 0.0005657 Pa×s 497.83 Joback Calculated Property
η 0.0003421 Pa×s 546.88 Joback Calculated Property
η 0.0002247 Pa×s 595.92 Joback Calculated Property
η 0.0001574 Pa×s 644.96 Joback Calculated Property
η 0.0001159 Pa×s 694.01 Joback Calculated Property
η 0.0000889 Pa×s 743.05 Joback Calculated Property
η 0.0000704 Pa×s 792.10 Joback Calculated Property

Similar Compounds

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

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