Chemical Properties of Terephthalic acid, 2-bromo-5-fluorobenzyl hexyl ester

Terephthalic acid, 2-bromo-5-fluorobenzyl hexyl ester

InChI
InChI=1S/C21H22BrFO4/c1-2-3-4-5-12-26-20(24)15-6-8-16(9-7-15)21(25)27-14-17-13-18(23)10-11-19(17)22/h6-11,13H,2-5,12,14H2,1H3
InChI Key
SPDYWVXZCCTUKV-UHFFFAOYSA-N
Formula
C21H22BrFO4
SMILES
CCCCCCOC(=O)c1ccc(C(=O)OCc2cc(F)ccc2Br)cc1
Molecular Weight1
437.30
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
ω 0.9868 Relay (1.0) Calculated Property
ΔfusH° 54.16 kJ/mol Joback Calculated Property
log10WS -6.91 Relay (1.0) Calculated Property
logPoct/wat 5.682 Crippen Calculated Property
McVol 293.380 ml/mol McGowan Calculated Property
Pc 1498.83 kPa Joback Calculated Property
Inp [3101.00; 3101.00]   Show Hide
Inp 3101.00 NIST
Inp 3101.00 NIST
Tboil 690.07 K Relay (1.0) Calculated Property
Tc 920.03 K Relay (1.0) Calculated Property
Tfus 318.22 K Relay (1.0) Calculated Property
Vc 1.064 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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 [868.00; 919.87] J/mol×K [930.25; 1154.62] Show Hide
Cp,gas 868.00 J/mol×K 930.25 Joback Calculated Property
Cp,gas 879.79 J/mol×K 967.65 Joback Calculated Property
Cp,gas 890.26 J/mol×K 1005.04 Joback Calculated Property
Cp,gas 899.46 J/mol×K 1042.44 Joback Calculated Property
Cp,gas 907.44 J/mol×K 1079.83 Joback Calculated Property
Cp,gas 914.23 J/mol×K 1117.23 Joback Calculated Property
Cp,gas 919.87 J/mol×K 1154.62 Joback Calculated Property

Similar Compounds

Terephthalic acid, 2-bromo-5-fluorobenzyl heptyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl octyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl pentyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl butyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl hexyl ester. Terephthalic acid, 2-bromobenzyl hexyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl heptyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl nonyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl decyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl octyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl tridecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl undecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl dodecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl pentyl ester. Terephthalic acid, 2-bromobenzyl heptyl ester.

Find more compounds similar to Terephthalic acid, 2-bromo-5-fluorobenzyl hexyl 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.