Chemical Properties of Octane, 1,1'-thiobis- (CAS 2690-08-6)

Octane, 1,1'-thiobis-

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InChI
InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChI Key
LOXRGHGHQYWXJK-UHFFFAOYSA-N
Formula
C16H34S
SMILES
CCCCCCCCSCCCCCCCC
Molecular Weight1
258.51
CAS
2690-08-6
Other Names
  • 1-(1-Octylthio)octane
  • 1-(Octylsulfanyl)octane
  • 9-Thiaheptadecane
  • Bis(1-octyl) sulfide
  • Di-n-octyl sulfide
  • Di-n-octyl thioether
  • Dioctyl sulfide
  • Dioctyl thioether
  • NSC 65459
  • Octyl sulfide
  • dioctyl sulphide
  • n-Octyl sulfide
Sources

Physical Properties

Property Value Unit Source
Δf 116.96 kJ/mol Joback Calculated Property
Δfgas -331.70 kJ/mol Joback Calculated Property
Δfus 41.33 kJ/mol Joback Calculated Property
Δvap 95.00 ± 11.00 kJ/mol NIST
logPoct/wat 6.44 Crippen Calculated Property
Pc 1800.00 ± 200.00 kPa NIST
Tboil 453.20 K NIST
Tc 780.00 ± 6.00 K NIST
Tfus 304.48 K Joback Calculated Property
Vc 0.99 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 685.17 J/mol×K 634.26 Joback Calculated Property
ΔvapH [63.70; 72.00] kJ/mol [388.50; 507.50] Show Hide
ΔvapH 71.60 kJ/mol 388.5 NIST
ΔvapH 72.00 ± 0.60 kJ/mol 507.5 NIST
ΔvapH 67.80 ± 0.50 kJ/mol 507.5 NIST
ΔvapH 63.70 ± 0.60 kJ/mol 507.5 NIST

Molecular Descriptors

Joback and Reid Groups
-S- 1
-CH3 2
-CH2- 14

Similar Compounds

Thiacyclononane. Di-n-nonyl sulfide. Dodecane, 1,1'-thiobis-. Thiacyclodecane. 6-Thiatetradecane. Undecyl sulfide. 3-Thiadodecane. Octane, 1-(propylthio)-. Octane, 1-(butylthio)-. 4-Thiatridecane. Decyl sulfide. N-Decyl ethyl sulfide. Dodecane, 1-(ethylthio)-. Ethyl n-octyl sulfide. heptyl propyl sulfide.

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