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Chemical Properties of 4,4'-(THIODIMETHYLENE)BIS(2,6-DI-TERT-BUTYLPHENOL)

4,4'-(THIODIMETHYLENE)BIS(2,6-DI-TERT-BUTYLPHENOL)

InChI
InChI=1S/C30H46O2S/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3
InChI Key
UDFARPRXWMDFQU-UHFFFAOYSA-N
Formula
C30H46O2S
SMILES
CC(C)(C)c1cc(CSCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
Molecular Weight1
470.76
Other Names
  • «alpha»,«alpha»'-thiobis(2,6-di-tert-butyl-p-cresol)
  • bis-[3,5-di-tert-butyl-4-hydroxybenzyl]sulfide
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Physical Properties

Property Value Unit Source
ΔfH°gas -513.83 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.02 kJ/mol Joback Calculated Property
ΔvapH° 150.27 kJ/mol Relay (1.0) Calculated Property
IE 7.37 eV Relay (1.0) Calculated Property
logPoct/wat 8.721 Crippen Calculated Property
McVol 414.130 ml/mol McGowan Calculated Property
Tboil 663.58 K Relay (1.0) Calculated Property
Tfus 417.20 ± 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

Property Value Unit Temperature (K) Source
Cp,gas [1504.42; 1719.35] J/mol×K [1176.18; 1443.03] Show Hide
Cp,gas 1504.42 J/mol×K 1176.18 Joback Calculated Property
Cp,gas 1534.31 J/mol×K 1220.66 Joback Calculated Property
Cp,gas 1565.99 J/mol×K 1265.13 Joback Calculated Property
Cp,gas 1599.90 J/mol×K 1309.61 Joback Calculated Property
Cp,gas 1636.48 J/mol×K 1354.08 Joback Calculated Property
Cp,gas 1676.15 J/mol×K 1398.56 Joback Calculated Property
Cp,gas 1719.35 J/mol×K 1443.03 Joback Calculated Property
ΔfusH 43.10 kJ/mol 417.20 NIST

Similar Compounds

Butylated Hydroxytoluene. 6-t-Butyl-2,4-dimethylphenol. Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl-. Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-. BENZENEMETHANOL, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-. BENZOIC ALDEHYDE, 3,5-DI-t-BUTYL-4-HYDROXY-. Phenol, 2-(1,1-dimethylethyl)-4-methyl-. 4-methyl-2-tert-butyl-6-hydroxym ethyl-phenol. 2,6-di-tert-Butyl-4-(dimethylaminomethyl)phenol. 2,4-tert-butyl-6-hydroxym ethyl-phenol. 4-methyl-2-tert-butyl-6-hydroperoxymethyl-phenol. Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-. Benzaldehyde, 2-hydroxy, 3,5-di(t-butyl). 2,6-BIS-(1,1-DIMETHYL-PROPYL)-4-METHYL-PHENOL. Phenol, 2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl)-.

Find more compounds similar to 4,4'-(THIODIMETHYLENE)BIS(2,6-DI-TERT-BUTYLPHENOL).

Sources

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