Chemical Properties of 4-tert-Butylcatechol, O,O'-bis(heptafluorobutyrate)

4-tert-Butylcatechol, O,O'-bis(heptafluorobutyrate)

InChI
InChI=1S/C18H12F14O4/c1-12(2,3)7-4-5-8(35-10(33)13(19,20)15(23,24)17(27,28)29)9(6-7)36-11(34)14(21,22)16(25,26)18(30,31)32/h4-6H,1-3H3
InChI Key
BUKUNDXYDAVYCJ-UHFFFAOYSA-N
Formula
C18H12F14O4
SMILES
CC(C)(C)c1ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1
Molecular Weight1
558.26
Other Names
  • Pyrocatechol, 4-tert.-butyl, bis-HFB
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Physical Properties

Property Value Unit Source
ΔfusH° 35.60 kJ/mol Joback Calculated Property
logPoct/wat 6.461 Crippen Calculated Property
McVol 280.380 ml/mol McGowan Calculated Property
Inp [1399.00; 1399.00]   Show Hide
Inp 1399.00 NIST
Inp 1399.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [472.41; 948.84] 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-5.40000e+01
Coefficient B2.45216e+00
Coefficient C-2.09552e-03
Coefficient D6.46200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 472.41 J/mol×K 273.00 Calculated Property
Cp,gas 579.86 J/mol×K 353.78 Calculated Property
Cp,gas 668.91 J/mol×K 434.56 Calculated Property
Cp,gas 741.61 J/mol×K 515.33 Calculated Property
Cp,gas 800.00 J/mol×K 596.11 Calculated Property
Cp,gas 846.13 J/mol×K 676.89 Calculated Property
Cp,gas 882.03 J/mol×K 757.67 Calculated Property
Cp,gas 909.75 J/mol×K 838.44 Calculated Property
Cp,gas 931.34 J/mol×K 919.22 Calculated Property
Cp,gas 948.84 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pyrocatechol, 4-tert.-butyl, TFA-HFB. 4-tert-Butylcatechol, bis(pentafluoropropionate). Pyrocatechol, 4-tert.-butyl, TFA-PFP. 4-tert-Butylcatechol, bis(trifluoroacetate). 4'-Hydroxy-3'-methoxyacetophenone, heptafluorobutyrate. 4-TERT-BUTYL-O-PHENYLENE DIACETATE. 3-Ethylphenol, O-heptafluorobutyryl-. 4'-Hydroxy-3'-methoxyacetophenone, pentafluoropropionate. Vanillin, heptafluorobutyrate. Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester. Dopamine, N-acetyl-PFP. 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-. 3-Hydroxy-4-methoxybenzyl alcohol, di(heptafluorobutyrate). 3-Methylcatechol, bis(heptafluorobutyrate). 3-Pentafluoropropionyloxy-4-methoxybenzyl alcohol, O-heptafluorobutyryl-.

Find more compounds similar to 4-tert-Butylcatechol, O,O'-bis(heptafluorobutyrate).

Sources

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