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

Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-

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
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Physical Properties

Property Value Unit Source
ΔfH°gas -501.14 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 58.36 kJ/mol Joback Calculated Property
ΔvapH° 186.53 kJ/mol Relay (1.0) Calculated Property
IE 7.19 eV Relay (1.0) Calculated Property
logPoct/wat 7.505 Crippen Calculated Property
McVol 393.980 ml/mol McGowan Calculated Property
Tboil 701.11 K Relay (1.0) Calculated Property
Tfus 429.52 K Relay (1.0) Calculated Property

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [554.39; 1315.02] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.16918e+02
Coefficient B3.07068e+00
Coefficient C-2.46664e-03
Coefficient D8.27900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 554.39 J/mol×K 273.00 Calculated Property
Cp,gas 697.36 J/mol×K 353.78 Calculated Property
Cp,gas 819.60 J/mol×K 434.56 Calculated Property
Cp,gas 923.75 J/mol×K 515.33 Calculated Property
Cp,gas 1012.40 J/mol×K 596.11 Calculated Property
Cp,gas 1088.19 J/mol×K 676.89 Calculated Property
Cp,gas 1153.73 J/mol×K 757.67 Calculated Property
Cp,gas 1211.63 J/mol×K 838.44 Calculated Property
Cp,gas 1264.53 J/mol×K 919.22 Calculated Property
Cp,gas 1315.02 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [2.7645638e-09; 5.8268609e-10] Pa×s [933.51; 1075.02] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-3.15343e+01
Coefficient B1.10415e+04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.933.51
Temperature range, max.1075.02
η 2.7645638e-09 Pa×s 933.51 Calculated Property
η 2.2726782e-09 Pa×s 949.23 Calculated Property
η 1.8802788e-09 Pa×s 964.96 Calculated Property
η 1.5651145e-09 Pa×s 980.68 Calculated Property
η 1.3103419e-09 Pa×s 996.40 Calculated Property
η 1.1031144e-09 Pa×s 1012.13 Calculated Property
η 9.3356355e-10 Pa×s 1027.85 Calculated Property
η 7.9405620e-10 Pa×s 1043.57 Calculated Property
η 6.7864921e-10 Pa×s 1059.30 Calculated Property
η 5.8268609e-10 Pa×s 1075.02 Calculated Property

Similar Compounds

3,3'-Di-tert-butyl-5,5'-dimethyl-2,2-dihydroxydiphenylmethane. Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-. 4,4'-Methylenebis(6-tert-butyl-o-cresol). P-cresol, 2,2'-methylene bis(6-(1,1,3,3-tetramethylbutyl))-. Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-. 2-TERT-BUTYL-4-METHYL-6-(A-METHYLBENZYL)PHENOL. 2,2'-Ethylidenebis(4,6-di-tert-butylphenol). 2,2'-methylenebis[6-(1-methylcyclohexyl)-p-cresol]. P-cresol, 2,2'-ethylidene bis(6-(1-methylcyclohexyl))-. 6-t-Butyl-2,4-dimethylphenol. 2-(«alpha»-Methylbenzyl)-p-cresol. 2,4-Bis(dimethylbenzyl)-6-t-butylphenol. Phenol, 4,4'-butylidene bis(2,6-di-tert-butyl)-. 4-methyl-2-tert-butyl-6-hydroperoxymethyl-phenol. Phenol, 2,4-bis(1-phenylethyl)-.

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

Sources

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