Chemical Properties of 4,4'-Methylenebis(6-tert-butyl-o-cresol) (CAS 96-65-1)

4,4'-Methylenebis(6-tert-butyl-o-cresol)

InChI
InChI=1S/C23H32O2/c1-14-9-16(12-18(20(14)24)22(3,4)5)11-17-10-15(2)21(25)19(13-17)23(6,7)8/h9-10,12-13,24-25H,11H2,1-8H3
InChI Key
RKLRVTKRKFEVQG-UHFFFAOYSA-N
Formula
C23H32O2
SMILES
Cc1cc(Cc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
Molecular Weight1
340.50
CAS
96-65-1
Other Names
  • Phenol, 4,4'-methylenebis[2-(1,1-dimethylethyl)-6-methyl-
  • o-Cresol, 4,4'-methylenebis[6-tert-butyl-
  • Ethyl Antioxidant 720
  • 4,4'-Methylenebis(2-t-butyl-6-methylphenol)
  • 4,4'-Methylenebis(6-t-butyl-o-cresol)
  • 4,4'-Methylenebis(2-tert-butyl-6-methylphenol)
  • 6,6'-di-tert-butyl-4,4'-methylenedi-o-cresol
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Physical Properties

Property Value Unit Source
ΔfH°gas -399.24 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 38.59 kJ/mol Joback Calculated Property
ΔvapH° 133.29 kJ/mol Relay (1.0) Calculated Property
IE 7.59 eV Relay (1.0) Calculated Property
logPoct/wat 5.900 Crippen Calculated Property
McVol 299.150 ml/mol McGowan Calculated Property
Tboil 632.05 K Relay (1.0) Calculated Property
Tfus 408.33 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 [419.94; 1004.48] 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-9.54190e+01
Coefficient B2.35396e+00
Coefficient C-1.87796e-03
Coefficient D6.23900e-07
Coefficient E0.00000e+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 [0.0000016; 0.0000002] Pa×s [680.17; 838.24] 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-2.48486e+01
Coefficient B7.84456e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.680.17
Temperature range, max.838.24
η 0.0000016 Pa×s 680.17 Calculated Property
η 0.0000012 Pa×s 697.73 Calculated Property
η 0.0000009 Pa×s 715.30 Calculated Property
η 0.0000007 Pa×s 732.86 Calculated Property
η 0.0000006 Pa×s 750.42 Calculated Property
η 0.0000004 Pa×s 767.99 Calculated Property
η 0.0000004 Pa×s 785.55 Calculated Property
η 0.0000003 Pa×s 803.11 Calculated Property
η 0.0000002 Pa×s 820.68 Calculated Property
η 0.0000002 Pa×s 838.24 Calculated Property

Similar Compounds

Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-. 3,3'-Di-tert-butyl-5,5'-dimethyl-2,2-dihydroxydiphenylmethane. Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-. Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-. 6-t-Butyl-2,4-dimethylphenol. P-cresol, 2,2'-methylene bis(6-(1,1,3,3-tetramethylbutyl))-. 2-TERT-BUTYL-4-METHYL-6-(A-METHYLBENZYL)PHENOL. Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl-. 2,2'-Ethylidenebis(4,6-di-tert-butylphenol). 4-methyl-2-tert-butyl-6-hydroperoxymethyl-phenol. Butylated Hydroxytoluene. 2,2'-methylenebis[6-(1-methylcyclohexyl)-p-cresol]. 2,6-BIS(t-BUTYL)-4-(DIMETHYLBENZYL)PHENOL. Phenol, 2-(1,1-dimethylethyl)-6-methyl-. Phenol, 4,4'-butylidene bis(2,6-di-tert-butyl)-.

Find more compounds similar to 4,4'-Methylenebis(6-tert-butyl-o-cresol).

Sources

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