Chemical Properties of [4-(4-Trifluoroacetoxy-5-tert-butyl-2-methylphenyl)sulfanyl-2-tert-butyl-5-methylphenyl] trifluoroacetate

[4-(4-Trifluoroacetoxy-5-tert-butyl-2-methylphenyl)sulfanyl-2-tert-butyl-5-methylphenyl] trifluoroacetate

InChI
InChI=1S/C26H28F6O4S/c1-13-9-17(35-21(33)25(27,28)29)15(23(3,4)5)11-19(13)37-20-12-16(24(6,7)8)18(10-14(20)2)36-22(34)26(30,31)32/h9-12H,1-8H3
InChI Key
IDGHOYVDCDSOQP-UHFFFAOYSA-N
Formula
C26H28F6O4S
SMILES
Cc1cc(OC(=O)C(F)(F)F)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(OC(=O)C(F)(F)F)cc1C
Molecular Weight1
550.55
Other Names
  • 4,4'-Thiobis(2-tert-butyl-1-hydroxy-5-methylphenyl), bistrifluoroacetate
  • Thiobis-2-tert-butyl-5-methyl-4,1-phenylene bis(trifluoroacetate)
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Physical Properties

Property Value Unit Source
ΔfusH° 50.54 kJ/mol Joback Calculated Property
logPoct/wat 7.985 Crippen Calculated Property
McVol 371.530 ml/mol McGowan Calculated Property
Inp [2217.00; 2217.00]   Show Hide
Inp 2217.00 NIST
Inp 2217.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [554.36; 1196.50] 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 A6.31000e+00
Coefficient B2.41795e+00
Coefficient C-1.60696e-03
Coefficient D3.79200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 554.36 J/mol×K 273.00 Calculated Property
Cp,gas 677.39 J/mol×K 353.78 Calculated Property
Cp,gas 784.71 J/mol×K 434.56 Calculated Property
Cp,gas 877.50 J/mol×K 515.33 Calculated Property
Cp,gas 956.97 J/mol×K 596.11 Calculated Property
Cp,gas 1024.32 J/mol×K 676.89 Calculated Property
Cp,gas 1080.75 J/mol×K 757.67 Calculated Property
Cp,gas 1127.46 J/mol×K 838.44 Calculated Property
Cp,gas 1165.64 J/mol×K 919.22 Calculated Property
Cp,gas 1196.50 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-(4-Acetoxy-5-tert-butyl-2-methylphenyl)sulfanyl-2-tert-butyl-6-methylphenyl] acetate. Santonox. 1, 1'-Thiobis(2-methyl-4-trimethylsiloxy-5-tert-butylbenzene). 1, 1'-Thiobis(2-methyl-4-tert-butyldimethylsilyloxy-5-tert-butylbenzene). Nadolol, acetylated. N-Trifluoroacetyl-2,5-dimethoxy-4-trifluoroacetoxypropylthio-«beta»-phenethylamine. Nadolol. (R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol. Lycoramine. Morphinan, 3-methoxy-. 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]pyrrolidin-2-one. Norlevorphanol. Benzquinamide M (N-des-Et), acetylated. Morphinan-3-ol, 4,5-epoxy-17-methyl-, (5.alpha.)-. N-Methyllaurotetanine.

Find more compounds similar to [4-(4-Trifluoroacetoxy-5-tert-butyl-2-methylphenyl)sulfanyl-2-tert-butyl-5-methylphenyl] trifluoroacetate.

Sources

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