Chemical Properties of Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl- (CAS 88-24-4)

InChI

InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3

InChI Key

GPNYZBKIGXGYNU-UHFFFAOYSA-N

Formula

C25H36O2

SMILES

CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

Molecular Weight¹

368.55

CAS

88-24-4

Other Names

• 2,2'-Methylene-bis(4-ethyl-6-t-butyl) phenol
• 2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
• 2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)
• 2,2-Methylenebis(4-ethyl-6-t-butylphenol)
• 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol
• AO 425
• Agidol 7
• Antage W 500
• Antioxidant 425
• Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane
• Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane
• Chemanox 22
• Cyanox 425
• NSC 7782
• Nocrac NS 5
• Phenol, 2,2'-methylenebis[4-ethyl-6(1,1-dimethylethyl)]-
• Phenol, 2,2'-methylenebis[6-tert-butyl-4-ethyl-
• Plastanox 425
• Plastanox 425 Antioxidant
• USAF CY-6
• Yoshinox 425

• 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).
• 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	-427.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.77	kJ/mol	Joback Calculated Property
IE	7.39	eV	Relay (1.0) Calculated Property
logPoct/wat	6.408		Crippen Calculated Property
McVol	327.330	ml/mol	McGowan Calculated Property
Inp	[2506.80; 2506.80]
Inp	2506.80		NIST
Inp	2506.80		NIST
Tboil	635.98	K	Relay (1.0) Calculated Property
Tfus	393.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[462.37; 1107.66]	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			-9.72370e+01
Coefficient B			2.54396e+00
Coefficient C			-1.98676e-03
Coefficient D			6.47700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	462.37	J/mol×K	273.00	Calculated Property
Cp,gas	582.78	J/mol×K	353.78	Calculated Property
Cp,gas	686.23	J/mol×K	434.56	Calculated Property
Cp,gas	774.77	J/mol×K	515.33	Calculated Property
Cp,gas	850.45	J/mol×K	596.11	Calculated Property
Cp,gas	915.33	J/mol×K	676.89	Calculated Property
Cp,gas	971.43	J/mol×K	757.67	Calculated Property
Cp,gas	1020.83	J/mol×K	838.44	Calculated Property
Cp,gas	1065.55	J/mol×K	919.22	Calculated Property
Cp,gas	1107.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0085549; 0.0000001]	Pa×s	[393.65; 868.29]	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			-2.51674e+01
Coefficient B			8.03288e+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.			393.65
Temperature range, max.			868.29
η	0.0085549	Pa×s	393.65	Calculated Property
η	0.0007677	Pa×s	446.39	Calculated Property
η	0.0001147	Pa×s	499.13	Calculated Property
η	0.0000246	Pa×s	551.86	Calculated Property
η	0.0000069	Pa×s	604.60	Calculated Property
η	0.0000024	Pa×s	657.34	Calculated Property
η	0.0000010	Pa×s	710.08	Calculated Property
η	0.0000004	Pa×s	762.82	Calculated Property
η	0.0000002	Pa×s	815.55	Calculated Property
η	0.0000001	Pa×s	868.29	Calculated Property

Similar Compounds

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

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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