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

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

InChI
InChI=1S/C20H28BrFO4/c1-15(2)14-25-19(23)9-7-5-3-4-6-8-10-20(24)26-18-12-11-16(22)13-17(18)21/h11-13,15H,3-10,14H2,1-2H3
InChI Key
XJVNZYHEQNNONC-UHFFFAOYSA-N
Formula
C20H28BrFO4
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)Oc1ccc(F)cc1Br
Molecular Weight1
431.34
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
ΔfH°gas -1018.64 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 54.40 kJ/mol Joback Calculated Property
ΔvapH° 104.99 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.814 Crippen Calculated Property
McVol 303.050 ml/mol McGowan Calculated Property
Inp [2709.00; 2709.00]   Show Hide
Inp 2709.00 NIST
Inp 2709.00 NIST
Tboil 648.18 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [913.24; 981.10] J/mol×K [875.27; 1079.97] Show Hide
Cp,gas 913.24 J/mol×K 875.27 Joback Calculated Property
Cp,gas 927.44 J/mol×K 909.39 Joback Calculated Property
Cp,gas 940.45 J/mol×K 943.50 Joback Calculated Property
Cp,gas 952.29 J/mol×K 977.62 Joback Calculated Property
Cp,gas 962.99 J/mol×K 1011.74 Joback Calculated Property
Cp,gas 972.59 J/mol×K 1045.86 Joback Calculated Property
Cp,gas 981.10 J/mol×K 1079.97 Joback Calculated Property

Similar Compounds

Sebacic acid, 2-bromo-4-fluorophenyl propyl ester. Sebacic acid, 2-bromo-4-fluorophenyl butyl ester. Sebacic acid, 2-bromo-4-fluorophenyl pentyl ester. Sebacic acid, 2-bromo-4-fluorophenyl undecyl ester. Sebacic acid, 2-bromo-4-fluorophenyl dodecyl ester. Sebacic acid, 2-bromo-4-fluorophenyl octyl ester. Sebacic acid, 2-bromo-4-fluorophenyl nonyl ester. Sebacic acid, 2-bromo-4-fluorophenyl heptyl ester. Sebacic acid, 2-bromo-4-fluorophenyl hexyl ester. Sebacic acid, 2-bromo-4-fluorophenyl decyl ester. Sebacic acid, 2-bromo-4-fluorophenyl isohexyl ester. Sebacic acid, 2-bromo-4-fluorophenyl ethyl ester. Glutaric acid, 2-ethylhexyl 2-bromo-4-fluorophenyl ester. Glutaric acid, cyclohexylmethyl 2-bromo-4-fluorophenyl ester. Succinic acid, cyclohexylmethyl 2-bromo-4-fluorophenyl ester.

Find more compounds similar to Sebacic 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.