Chemical Properties of Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- (CAS 118-82-1)

InChI

InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3

InChI Key

MDWVSAYEQPLWMX-UHFFFAOYSA-N

Formula

C29H44O2

SMILES

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

Molecular Weight¹

424.66

CAS

118-82-1

Other Names

• 2,2',6,6'-Tetra-tert-butyl-4,4'-methylenediphenol
• 4,4'-Dihydroxy,3,3'-5,5'-tetra-t-butyldiphenylmethane
• 4,4'-Dihydroxy-3,5,3',5'-tetra-tert-butyldiphenylmethane
• 4,4'-Methylenebis(2,6-di-t-butylphenol)
• 4,4'-Methylenebis[2,6-Di-tert-butylphenol]
• Antioxidant E 702
• Bimox M
• Binox M
• Di(4-hydroxy-3,5-di-tert-butylphenyl)methane
• E 702
• Ethyl 702
• Etil 702
• Ionox 220
• Ionox 220 Antioxidant
• L 3MB1
• LZ-MB 1
• MB 1 (Antioxidant)
• NSC 30551
• Phenol, 4,4'-methylenebis[2,6-di-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_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

Property	Value	Unit	Source
ΔfH°gas	-507.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.30	kJ/mol	Joback Calculated Property
ΔvapH°	136.45	kJ/mol	Relay (1.0) Calculated Property
IE	7.64	eV	Relay (1.0) Calculated Property
logPoct/wat	7.879		Crippen Calculated Property
McVol	383.690	ml/mol	McGowan Calculated Property
Tboil	656.13	K	Relay (1.0) Calculated Property
Tfus	[429.15; 447.70]	K
Tfus	429.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	447.70 ± 0.50	K	NIST

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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.31; 1316.96]	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			-1.49819e+02
Coefficient B			3.17564e+00
Coefficient C			-2.54796e-03
Coefficient D			8.39100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	544.31	J/mol×K	273.00	Calculated Property
Cp,gas	691.91	J/mol×K	353.78	Calculated Property
Cp,gas	817.88	J/mol×K	434.56	Calculated Property
Cp,gas	924.87	J/mol×K	515.33	Calculated Property
Cp,gas	1015.55	J/mol×K	596.11	Calculated Property
Cp,gas	1092.55	J/mol×K	676.89	Calculated Property
Cp,gas	1158.54	J/mol×K	757.67	Calculated Property
Cp,gas	1216.17	J/mol×K	838.44	Calculated Property
Cp,gas	1268.09	J/mol×K	919.22	Calculated Property
Cp,gas	1316.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013452; 2.8108941e-08]	Pa×s	[438.42; 935.61]	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			-2.68897e+01
Coefficient B			8.89060e+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.			438.42
Temperature range, max.			935.61
η	0.0013452	Pa×s	438.42	Calculated Property
η	0.0001391	Pa×s	493.67	Calculated Property
η	0.0000227	Pa×s	548.91	Calculated Property
η	0.0000052	Pa×s	604.15	Calculated Property
η	0.0000015	Pa×s	659.39	Calculated Property
η	0.0000005	Pa×s	714.64	Calculated Property
η	0.0000002	Pa×s	769.88	Calculated Property
η	0.0000001	Pa×s	825.12	Calculated Property
η	5.1027497e-08	Pa×s	880.36	Calculated Property
η	2.8108941e-08	Pa×s	935.61	Calculated Property

Similar Compounds

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

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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