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

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

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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
ΔfG° -2981.47 kJ/mol Joback Calculated Property
ΔfH°gas -3497.65 kJ/mol Joback Calculated Property
ΔfusH° 32.43 kJ/mol Joback Calculated Property
ΔvapH° 57.06 kJ/mol Joback Calculated Property
log10WS -7.67 Crippen Calculated Property
logPoct/wat 6.461 Crippen Calculated Property
McVol 280.380 ml/mol McGowan Calculated Property
Pc 1074.98 kPa Joback Calculated Property
Inp 1399.00 NIST
Tboil 767.63 K Joback Calculated Property
Tc 944.07 K Joback Calculated Property
Tfus 513.60 K Joback Calculated Property
Vc 1.159 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [880.14; 934.46] J/mol×K [767.63; 944.07] Show Hide
Cp,gas 880.14 J/mol×K 767.63 Joback Calculated Property
Cp,gas 891.08 J/mol×K 797.04 Joback Calculated Property
Cp,gas 901.15 J/mol×K 826.44 Joback Calculated Property
Cp,gas 910.42 J/mol×K 855.85 Joback Calculated Property
Cp,gas 919.00 J/mol×K 885.25 Joback Calculated Property
Cp,gas 926.98 J/mol×K 914.66 Joback Calculated Property
Cp,gas 934.46 J/mol×K 944.07 Joback 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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