Chemical Properties of Hexane, 1,1'-thiobis- (CAS 6294-31-1)

Hexane, 1,1'-thiobis-

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InChI
InChI=1S/C12H26S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
InChI Key
LHNRHYOMDUJLLM-UHFFFAOYSA-N
Formula
C12H26S
SMILES
CCCCCCSCCCCCC
Molecular Weight1
202.40
CAS
6294-31-1
Other Names
  • 7-Thiatridecane
  • Di-n-hexyl sulfide
  • Dihexyl sulfide
  • Hexyl sulfide
  • Normal-hexyl sulfide
  • dihexyl sulphide
  • n-Hexyl sulfide
Sources

Physical Properties

Property Value Unit Source
Δf 83.28 kJ/mol Joback Calculated Property
Δfgas -249.14 kJ/mol Joback Calculated Property
Δfus 30.97 kJ/mol Joback Calculated Property
Δvap 49.12 kJ/mol Joback Calculated Property
logPoct/wat 4.88 Crippen Calculated Property
Pc 1806.16 kPa Joback Calculated Property
Tboil 503.20 K NIST
Tc 721.16 K Joback Calculated Property
Tfus 259.40 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 472.53 J/mol×K 542.74 Joback Calculated Property
ΔvapH 72.40 kJ/mol 373.5 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 10
-CH3 2
-S- 1

Similar Compounds

6-Thiadodecane. 5-Thiaundecane. hexyl propyl sulfide. Hexane, 1-(ethylthio)-. N-heptyl sulfide. 5-Thiadodecane. 6-Thiatridecane. 3-Thiadecane. Thiocane. heptyl propyl sulfide. Ethyl n-octyl sulfide. 6-Thiatetradecane. N-Decyl ethyl sulfide. Octane, 1-(butylthio)-. Thiacyclononane.

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