Chemical Properties of 3,3'-Di-tert-butyl-5,5'-dimethyl-2,2-dihydroxydiphenylmethane

InChI

InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3

InChI Key

KGRVJHAUYBGFFP-UHFFFAOYSA-N

Formula

C23H32O2

SMILES

Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

Molecular Weight¹

340.51

Other Names

• 2,2'-Bis(4-methyl-6-tert-butylphenol)methane
• 2,2'-Bis-6-terc.butyl-p-kresylmethan
• 2,2'-Methylene-bis(6-tert-butyl)-para-cresol
• 2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)
• 2,2'-Methylene-bis-(4-methyl-6-t-butylphenol)
• 2,2'-Methylenebis 6-(1,1-dimethylethyl)-4-methyl-phenol
• 2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)
• 2,2'-Methylenebis(6-t-butyl-4-methylphenol)
• 2,2'-Methylenebis(6-tert-butyl-p-cresol)
• 2,2'-Methylenebis[4-Methyl-6-tert-butylphenol]
• 2,2'Methylenebis(6-tert-4-methylphenol)
• 2-tert-Butyl-6-(2-hydroxy-3-tert-butyl-5-methyl-benzyl)-4-methyl-phenol
• 6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol
• A-22-46
• AO 1
• AO 1 (Antioxidant)
• AO 2246
• Advastab 405
• Agidol 2
• Alterungsschutzmittel BKF
• Antage W 400
• Anti Ox
• Antioxidant 1
• Antioxidant 2246
• Antioxidant BKF
• Antioxidant NG-2246
• Antioxidant OMB
• BKF
• Bis(2-hydroxy-3-tert-butyl-5-methylphenyl)methane
• Bis(2-hydroxy-5-methyl-3-tert-butylphenyl)methane
• Bis(6-hydroxy-3-methyl-5-tert-butylphenyl)methane
• Bisaklofen bp
• Bisalkofen BP
• CAO 14
• CAO 5
• Calco 2246
• Catolin 14
• Chemanox 21
• Cyanox 2246
• Di(2-hydroxy-5-methyl-3-tert-butylphenyl)methane
• Ionol 46
• Lederle 2246
• Lowinox 22M46
• Methane, 2,2'-bis(6-t-butyl-p-cresyl)-
• Methane, 2,2'-bis(6-tert-butyl-p-cresyl)-
• NG 2246
• Nocrac NS 6
• Nocrack NS 6
• OXY CHEK 114
• Phenol, 2,2'-methylenebis*6-(1,1-dimethylethyl)-4-methyl-
• Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl-
• Plastanox 2246
• Plastanox 2246 Antioxidant
• Ralox 46
• S 67
• Sumilizer MDP
• Synox 5LT
• Vulkanox BKF
• p-Cresol, 2,2'-methylenebis*6-tert-butyl-
• p-Cresol, 2,2'-methylenebis[6-tert-butyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-397.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.59	kJ/mol	Joback Calculated Property
ΔvapH°	132.26	kJ/mol	Relay (1.0) Calculated Property
IE	7.45	eV	Relay (1.0) Calculated Property
logPoct/wat	5.900		Crippen Calculated Property
McVol	299.150	ml/mol	McGowan Calculated Property
Inp	[2398.00; 2398.00]
Inp	2398.00		NIST
Inp	2398.00		NIST
Tboil	623.81	K	Relay (1.0) Calculated Property
Tfus	396.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.94; 1004.48]	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			-9.54190e+01
Coefficient B			2.35396e+00
Coefficient C			-1.87796e-03
Coefficient D			6.23900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.94	J/mol×K	273.00	Calculated Property
Cp,gas	529.94	J/mol×K	353.78	Calculated Property
Cp,gas	624.07	J/mol×K	434.56	Calculated Property
Cp,gas	704.31	J/mol×K	515.33	Calculated Property
Cp,gas	772.63	J/mol×K	596.11	Calculated Property
Cp,gas	831.00	J/mol×K	676.89	Calculated Property
Cp,gas	881.40	J/mol×K	757.67	Calculated Property
Cp,gas	925.80	J/mol×K	838.44	Calculated Property
Cp,gas	966.17	J/mol×K	919.22	Calculated Property
Cp,gas	1004.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064314; 0.0000002]	Pa×s	[396.15; 838.24]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.48486e+01
Coefficient B			7.84456e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			396.15
Temperature range, max.			838.24
η	0.0064314	Pa×s	396.15	Calculated Property
η	0.0007237	Pa×s	445.27	Calculated Property
η	0.0001257	Pa×s	494.39	Calculated Property
η	0.0000300	Pa×s	543.51	Calculated Property
η	0.0000091	Pa×s	592.63	Calculated Property
η	0.0000033	Pa×s	641.76	Calculated Property
η	0.0000014	Pa×s	690.88	Calculated Property
η	0.0000006	Pa×s	740.00	Calculated Property
η	0.0000003	Pa×s	789.12	Calculated Property
η	0.0000002	Pa×s	838.24	Calculated Property

Similar Compounds

Find more compounds similar to 3,3'-Di-tert-butyl-5,5'-dimethyl-2,2-dihydroxydiphenylmethane.

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.
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