Chemical Properties of Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl- (CAS 90-68-6)

InChI

InChI=1S/C31H40O3/c1-18-10-21(16-23-12-19(2)14-25(28(23)33)30(4,5)6)27(32)22(11-18)17-24-13-20(3)15-26(29(24)34)31(7,8)9/h10-15,32-34H,16-17H2,1-9H3

InChI Key

LKALLEFLBKHPTQ-UHFFFAOYSA-N

Formula

C31H40O3

SMILES

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

Molecular Weight¹

460.65

CAS

90-68-6

Other Names

• Antioxidant 80
• Mesitol, «alpha»2,«alpha»6-bis(5-tert-butyl-6-hydroxy-m-tolyl)-
• p-Cresol, 2,6-bis(2-hydroxy-3-tert-butyl-5-methylbenzyl)
• 2,6-bis[[3-(tert-butyl)-2-hydroxy-5-tolyl]methyl]-4-methylphenol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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	[1487.45; 1779.65]	J/mol×K	[1254.00; 1535.50]
Cp,gas	1487.45	J/mol×K	1254.00	Joback Calculated Property
Cp,gas	1526.03	J/mol×K	1300.92	Joback Calculated Property
Cp,gas	1567.97	J/mol×K	1347.83	Joback Calculated Property
Cp,gas	1613.79	J/mol×K	1394.75	Joback Calculated Property
Cp,gas	1664.00	J/mol×K	1441.67	Joback Calculated Property
Cp,gas	1719.11	J/mol×K	1488.58	Joback Calculated Property
Cp,gas	1779.65	J/mol×K	1535.50	Joback Calculated Property
η	[1.3452054e-10; 2.7645638e-09]	Pa×s	[933.51; 1254.00]
η	2.7645638e-09	Pa×s	933.51	Joback Calculated Property
η	1.4574994e-09	Pa×s	986.92	Joback Calculated Property
η	8.2061447e-10	Pa×s	1040.34	Joback Calculated Property
η	4.8869319e-10	Pa×s	1093.76	Joback Calculated Property
η	3.0541901e-10	Pa×s	1147.17	Joback Calculated Property
η	1.9903093e-10	Pa×s	1200.59	Joback Calculated Property
η	1.3452054e-10	Pa×s	1254.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-.

Sources

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

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