Chemical Properties of Phenol, 2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)- (CAS 3294-03-9)

Phenol, 2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)-

InChI
InChI=1S/C28H42O2S/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)31-24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6/h11-16,29-30H,17-18H2,1-10H3
InChI Key
WQYFETFRIRDUPJ-UHFFFAOYSA-N
Formula
C28H42O2S
SMILES
CC(C)(C)CC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1
Molecular Weight1
442.70
CAS
3294-03-9
Other Names
  • 2,2'-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]
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Physical Properties

Property Value Unit Source
ΔfusH° 41.62 kJ/mol Joback Calculated Property
ΔvapH° 135.46 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 8.677 Crippen Calculated Property
McVol 385.950 ml/mol McGowan Calculated Property
Tfus 472.45 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 [538.49; 1298.04] 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-1.57908e+02
Coefficient B3.19399e+00
Coefficient C-2.58744e-03
Coefficient D8.49400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 538.49 J/mol×K 273.00 Calculated Property
Cp,gas 685.82 J/mol×K 353.78 Calculated Property
Cp,gas 811.15 J/mol×K 434.56 Calculated Property
Cp,gas 917.16 J/mol×K 515.33 Calculated Property
Cp,gas 1006.55 J/mol×K 596.11 Calculated Property
Cp,gas 1081.99 J/mol×K 676.89 Calculated Property
Cp,gas 1146.17 J/mol×K 757.67 Calculated Property
Cp,gas 1201.78 J/mol×K 838.44 Calculated Property
Cp,gas 1251.51 J/mol×K 919.22 Calculated Property
Cp,gas 1298.04 J/mol×K 1000.00 Calculated Property

Similar Compounds

Phenol, 4-(1,1,2,2-tetramethylpentyl). Phenol, 4-(1,1,3,3-tetramethylpentyl). 4-tert-octylphenol. Phenol, 4-(1-ethyl-1,3,3-trimethylbutyl). Phenol, 4-(1,3-dimethyl-1-propylbutyl). Phenol, 4-tert.-octyl-2-nitro. Phenol, 4-[1,3-dimethyl-1-(1-methylethyl)butyl]. Phenol, 2-chloro-4-(1,1,3,3-tetramethylbutyl)-. Phenol, 4-(1,1,3-trimethylhexyl). Phenol, 2-methyl-4-(1,1,3,3-tetramethylbutyl)-. Benzaldehyde, 2-hydroxy, 5-(1,1,3,3-tetramethylbutyl). Phenol, 4-(3-ethyl-1,1-dimethylpentyl). Phenol, 4-(1,1,3,4-tetramethylpentyl). Phenol, 4-(1-ethyl-1,3-dimethylpentyl), diastereomer # 1. Phenol, 4-(1-ethyl-1,3-dimethylpentyl), diastereomer # 2.

Find more compounds similar to Phenol, 2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)-.

Sources

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