Chemical Properties of Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-6-methyl- (CAS 96-66-2)

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

358.54

CAS

96-66-2

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[979.30; 1101.03]	J/mol×K	[999.60; 1258.08]
Cp,gas	979.30	J/mol×K	999.60	Joback Calculated Property
Cp,gas	998.24	J/mol×K	1042.68	Joback Calculated Property
Cp,gas	1017.35	J/mol×K	1085.76	Joback Calculated Property
Cp,gas	1036.90	J/mol×K	1128.84	Joback Calculated Property
Cp,gas	1057.17	J/mol×K	1171.92	Joback Calculated Property
Cp,gas	1078.46	J/mol×K	1215.00	Joback Calculated Property
Cp,gas	1101.03	J/mol×K	1258.08	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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