Chemical Properties of Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-6-methyl-

InChI

InChI=1S/C22H30O2S/c1-13-9-15(11-17(19(13)23)21(3,4)5)25-16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12,23-24H,1-8H3

InChI Key

YFHKLSPMRRWLKI-UHFFFAOYSA-N

Formula

C22H30O2S

SMILES

Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

Molecular Weight¹

358.55

Other Names

• 3-tert-Butyl-4-hydroxy-5-methylphenyl sulfide
• 4,4'-Thiobis(2-tert-butyl-6-methylphenol)
• 4,4'-Thiobis(6-tert-butyl-o-cresol)
• 6,6'-di-tert-butyl-4,4'-thiodi-o-cresol
• Antioxidant 736
• Antioxidant E 736
• E 736
• Ethanox 736
• Ethyl 736
• Ethyl Antioxidant 736
• NSC 58409
• TB 2
• Thioalkofen BM
• Tioalkofen BM
• o-Cresol, 4,4'-thiobis(6-t-butyl-
• o-Cresol, 4,4'-thiobis[6-tert-butyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.23; 979.48]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.49100e+01
Coefficient B			2.25335e+00
Coefficient C			-1.78336e-03
Coefficient D			5.84400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.23	J/mol×K	273.00	Calculated Property
Cp,gas	524.95	J/mol×K	353.78	Calculated Property
Cp,gas	615.49	J/mol×K	434.56	Calculated Property
Cp,gas	692.69	J/mol×K	515.33	Calculated Property
Cp,gas	758.41	J/mol×K	596.11	Calculated Property
Cp,gas	814.50	J/mol×K	676.89	Calculated Property
Cp,gas	862.81	J/mol×K	757.67	Calculated Property
Cp,gas	905.17	J/mol×K	838.44	Calculated Property
Cp,gas	943.45	J/mol×K	919.22	Calculated Property
Cp,gas	979.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-6-methyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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