Chemical Properties of Terephthalic acid, isobutyl 2,2,2-trifluoroethyl ester

Terephthalic acid, isobutyl 2,2,2-trifluoroethyl ester

InChI
InChI=1S/C14H15F3O4/c1-9(2)7-20-12(18)10-3-5-11(6-4-10)13(19)21-8-14(15,16)17/h3-6,9H,7-8H2,1-2H3
InChI Key
VEHMUKMFUJJRAV-UHFFFAOYSA-N
Formula
C14H15F3O4
SMILES
CC(C)COC(=O)c1ccc(C(=O)OCC(F)(F)F)cc1
Molecular Weight1
304.26
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° 32.71 kJ/mol Joback Calculated Property
log10WS -4.44 Relay (1.0) Calculated Property
logPoct/wat 3.219 Crippen Calculated Property
McVol 204.550 ml/mol McGowan Calculated Property
Inp [1878.00; 1878.00]   Show Hide
Inp 1878.00 NIST
Inp 1878.00 NIST
Tboil 571.88 K Relay (1.0) Calculated Property
Tfus 319.17 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [303.26; 659.47] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.34920e+01
Coefficient B1.25294e+00
Coefficient C-7.36960e-04
Coefficient D1.30000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.26 J/mol×K 273.00 Calculated Property
Cp,gas 370.27 J/mol×K 353.78 Calculated Property
Cp,gas 429.47 J/mol×K 434.56 Calculated Property
Cp,gas 481.25 J/mol×K 515.33 Calculated Property
Cp,gas 526.04 J/mol×K 596.11 Calculated Property
Cp,gas 564.25 J/mol×K 676.89 Calculated Property
Cp,gas 596.29 J/mol×K 757.67 Calculated Property
Cp,gas 622.56 J/mol×K 838.44 Calculated Property
Cp,gas 643.49 J/mol×K 919.22 Calculated Property
Cp,gas 659.47 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,4-Benzenedicarboxylic acid, bis(2-methylpropyl) ester. Terephthalic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester. Terephthalic acid, propyl 2,2,2-trifluoroethyl ester. Benzoic acid, 2-methylpropyl ester. Terephthalic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester. Terephthalic acid, 2,2-dichloroethyl isobutyl ester. Benzoic acid, 4-methyl-, 2-methylpropyl ester. Terephthalic acid, 2-chloropropyl isobutyl ester. Isophthalic acid, isobutyl neopentyl ester. 4-Chlorobenzoic acid, 2-methylpropyl ester. Terephthalic acid, butyl 2,2,2-trifluoroethyl ester. Terephthalic acid, 2-fluoroethyl propyl ester. ISOBUTYL P-HYDROXYBENZOATE. Terephthalic acid, but-2-enyl isobutyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester.

Find more compounds similar to Terephthalic acid, isobutyl 2,2,2-trifluoroethyl 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.