Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl isobutyl ester

1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl isobutyl ester

InChI
InChI=1S/C18H23BrO4/c1-12(2)11-22-17(20)15-5-3-4-6-16(15)18(21)23-14-9-7-13(19)8-10-14/h7-10,12,15-16H,3-6,11H2,1-2H3
InChI Key
ZCSZPBXBYMQQIX-UHFFFAOYSA-N
Formula
C18H23BrO4
SMILES
CC(C)COC(=O)C1CCCCC1C(=O)Oc1ccc(Br)cc1
Molecular Weight1
383.28
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 36.27 kJ/mol Joback Calculated Property
IE 8.63 eV Relay (1.0) Calculated Property
logPoct/wat 4.360 Crippen Calculated Property
McVol 262.240 ml/mol McGowan Calculated Property
Inp [2501.00; 2501.00]   Show Hide
Inp 2501.00 NIST
Inp 2501.00 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 [799.83; 868.70] J/mol×K [876.08; 1112.05] Show Hide
Cp,gas 799.83 J/mol×K 876.08 Joback Calculated Property
Cp,gas 815.15 J/mol×K 915.41 Joback Calculated Property
Cp,gas 828.88 J/mol×K 954.74 Joback Calculated Property
Cp,gas 841.07 J/mol×K 994.07 Joback Calculated Property
Cp,gas 851.75 J/mol×K 1033.40 Joback Calculated Property
Cp,gas 860.95 J/mol×K 1072.72 Joback Calculated Property
Cp,gas 868.70 J/mol×K 1112.05 Joback Calculated Property
η [0.0000712; 0.0006711] Pa×s [523.82; 876.08] Show Hide
η 0.0006711 Pa×s 523.82 Joback Calculated Property
η 0.0003824 Pa×s 582.53 Joback Calculated Property
η 0.0002415 Pa×s 641.24 Joback Calculated Property
η 0.0001648 Pa×s 699.95 Joback Calculated Property
η 0.0001193 Pa×s 758.66 Joback Calculated Property
η 0.0000904 Pa×s 817.37 Joback Calculated Property
η 0.0000712 Pa×s 876.08 Joback Calculated Property

Similar Compounds

1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl butyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl decyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl heptyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl nonyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, isobutyl 4-methoxyphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chlorophenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl ethyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chlorophenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl isobutyl ester.

Find more compounds similar to 1,2-Cyclohexanedicarboxylic 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.