Chemical Properties of Terephthalic acid, di(2,2,2-trifluoro-1-phenylethyl) ester

Terephthalic acid, di(2,2,2-trifluoro-1-phenylethyl) ester

InChI
InChI=1S/C24H16F6O4/c25-23(26,27)19(15-7-3-1-4-8-15)33-21(31)17-11-13-18(14-12-17)22(32)34-20(24(28,29)30)16-9-5-2-6-10-16/h1-14,19-20H
InChI Key
HSOPHXVPQUPZRD-UHFFFAOYSA-N
Formula
C24H16F6O4
SMILES
O=C(OC(c1ccccc1)C(F)(F)F)c1ccc(C(=O)OC(c2ccccc2)C(F)(F)F)cc1
Molecular Weight1
482.37
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 -1714.40 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.99 kJ/mol Joback Calculated Property
logPoct/wat 6.607 Crippen Calculated Property
McVol 303.240 ml/mol McGowan Calculated Property
Inp [2135.00; 2135.00]   Show Hide
Inp 2135.00 NIST
Inp 2135.00 NIST
Tboil 683.15 K Relay (1.0) Calculated Property
Tfus 389.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 [945.06; 992.01] J/mol×K [938.46; 1163.61] Show Hide
Cp,gas 945.06 J/mol×K 938.46 Joback Calculated Property
Cp,gas 955.51 J/mol×K 975.99 Joback Calculated Property
Cp,gas 964.74 J/mol×K 1013.51 Joback Calculated Property
Cp,gas 972.89 J/mol×K 1051.04 Joback Calculated Property
Cp,gas 980.06 J/mol×K 1088.56 Joback Calculated Property
Cp,gas 986.39 J/mol×K 1126.09 Joback Calculated Property
Cp,gas 992.01 J/mol×K 1163.61 Joback Calculated Property

Similar Compounds

Terephthalic acid, ethyl 2,2,2-trifluoro-1-phenylethyl ester. Phthalic acid, di(2,2,2-trifluoro-1-phenylethyl) ester. Terephthalic acid, propyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, isobutyl 2,2,2-trifluoro-1-phenylethyl ester. Phthalic acid, ethyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, butyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, pentyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, hexyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, heptyl 2,2,2-trifluoro-1-phenylethyl ester. Phthalic acid, propyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, octyl 2,2,2-trifluoro-1-phenylethyl ester. Phthalic acid, isobutyl 2,2,2-trifluoro-1-phenylethyl ester. Phthalic acid, butyl 2,2,2-trifluoro-1-phenylethyl ester. Benzoic acid, 1-phenylethyl ester. .alpha.-Cyanobenzyl benzoate.

Find more compounds similar to Terephthalic acid, di(2,2,2-trifluoro-1-phenylethyl) 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.