Chemical Properties of 1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl- (CAS 828-26-2)

1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-

InChI
InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3
InChI Key
NBNWHQAWKFYFKI-UHFFFAOYSA-N
Formula
C9H18S3
SMILES
CC1(C)SC(C)(C)SC(C)(C)S1
Molecular Weight1
222.43
CAS
828-26-2
Other Names
  • s-Trithiane, 2,2,4,4,6,6-hexamethyl-
  • Hexamethyl-s-trithiane
  • Trithioacetone
  • 2,2,4,4,6,6-Hexamethyl-s-trithiane
  • Hexamethyl-1,3,5-trithiane
  • 2,2,4,4,6,6-Hexamethyl-s-trithiane (trithioacetone)
  • 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane
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Physical Properties

Property Value Unit Source
ΔfusH° 5.12 kJ/mol Joback Calculated Property
IE 7.95 ± 0.05 eV NIST
logPoct/wat 4.408 Crippen Calculated Property
McVol 175.860 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [405.52; 504.84] J/mol×K [559.74; 832.07] Show Hide
Cp,gas 405.52 J/mol×K 559.74 Joback Calculated Property
Cp,gas 423.66 J/mol×K 605.13 Joback Calculated Property
Cp,gas 440.44 J/mol×K 650.52 Joback Calculated Property
Cp,gas 456.40 J/mol×K 695.90 Joback Calculated Property
Cp,gas 472.10 J/mol×K 741.29 Joback Calculated Property
Cp,gas 488.06 J/mol×K 786.68 Joback Calculated Property
Cp,gas 504.84 J/mol×K 832.07 Joback Calculated Property

Similar Compounds

2,4,4,6-tetramethyl-3,5-dithiaheptane. 1,2,4-Trithiolane, 3,3,5,5-tetramethyl-. 2,4,4-trimethyl-3,5-dithiahexane. Propane, 2,2-bis(ethylthio)-. 3,3-dimethyl-2,4-dithiahexane. 1,3,5,7-Tetramethyl-2,4,6,8,9,10-hexathiaadamantane. 1,3-Dithiolane, 2,2-dimethyl-. 2,4,6,8-Tetrathiatricyclo[3.3.1.1(3,7)]decane, 1,3,5,7-tetramethyl-. Propane, 2,2-bis(methylthio)-. 2,4,6-trimethyl-3,5-dithiaheptane. 1,3-Dithiane, 2,2-dimethyl-. Propane, 2,2'-thiobis[2-methyl-. 2,4-dimethyl-3,5-dithiahexane. 2,2,4-Trimethyl-1,3-dithiolane. 1,3,5-Trithiane, 2,4,6-trimethyl, #1.

Find more compounds similar to 1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-.

Sources

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