Chemical Properties of Pyrocatechol, 4-tert.-butyl, TFA-PFP

Pyrocatechol, 4-tert.-butyl, TFA-PFP

InChI
InChI=1S/C15H12F8O4/c1-12(2,3)7-4-5-8(26-11(25)14(18,19)20)9(6-7)27-10(24)13(16,17)15(21,22)23/h4-6H,1-3H3
InChI Key
GZQGVFISYTVXCI-UHFFFAOYSA-N
Formula
C15H12F8O4
SMILES
CC(C)(C)c1ccc(OC(=O)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)F)c1
Molecular Weight1
408.24
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° 31.59 kJ/mol Joback Calculated Property
logPoct/wat 4.555 Crippen Calculated Property
McVol 227.490 ml/mol McGowan Calculated Property
Inp [1286.00; 1286.00]   Show Hide
Inp 1286.00 NIST
Inp 1286.00 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [363.96; 747.24] 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 A-1.44000e+01
Coefficient B1.71896e+00
Coefficient C-1.31852e-03
Coefficient D3.61200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 363.96 J/mol×K 273.00 Calculated Property
Cp,gas 444.70 J/mol×K 353.78 Calculated Property
Cp,gas 513.24 J/mol×K 434.56 Calculated Property
Cp,gas 570.71 J/mol×K 515.33 Calculated Property
Cp,gas 618.27 J/mol×K 596.11 Calculated Property
Cp,gas 657.05 J/mol×K 676.89 Calculated Property
Cp,gas 688.19 J/mol×K 757.67 Calculated Property
Cp,gas 712.84 J/mol×K 838.44 Calculated Property
Cp,gas 732.15 J/mol×K 919.22 Calculated Property
Cp,gas 747.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-tert-Butylcatechol, bis(pentafluoropropionate). Pyrocatechol, 4-tert.-butyl, TFA-HFB. 4-tert-Butylcatechol, O,O'-bis(heptafluorobutyrate). 4-tert-Butylcatechol, bis(trifluoroacetate). 4-TERT-BUTYL-O-PHENYLENE DIACETATE. 4'-Hydroxy-3'-methoxyacetophenone, pentafluoropropionate. 4'-Hydroxy-3'-methoxyacetophenone, heptafluorobutyrate. 4-tert-Butylcatechol, dimethyl ether. 3-Ethylphenol, O-pentafluoropropionyl-. Dopamine, N-acetyl-PFP. 4'-Hydroxy-3'-methoxyacetophenone, trifluoroacetate. Vanillin, pentafluoropropionate. 3-Ethylphenol, O-heptafluorobutyryl-. Propanoic acid, pentafluoro-, 4-[2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]-1,2-phenylene ester. Vanillin, heptafluorobutyrate.

Find more compounds similar to Pyrocatechol, 4-tert.-butyl, TFA-PFP.

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.