Chemical Properties of Hexane, 1-(methylthio)- (CAS 20291-60-5)

Hexane, 1-(methylthio)-

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InChI
InChI=1S/C7H16S/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3
InChI Key
LZRXQHHKXDXOIC-UHFFFAOYSA-N
Formula
C7H16S
SMILES
CCCCCCSC
Molecular Weight1
132.27
CAS
20291-60-5
Other Names
  • 1-(Methylsulfanyl)hexane
  • 1-(Methylthio)-hexane
  • 2-Thiaoctane
  • Hexyl methyl sulfide
  • Sulfide, hexyl methyl
  • n-Hexyl methyl sulfide
Sources

Physical Properties

Property Value Unit Source
Δf 41.18 kJ/mol Joback Calculated Property
Δfgas -145.94 kJ/mol Joback Calculated Property
Δfus 18.02 kJ/mol Joback Calculated Property
Δvap 37.99 kJ/mol Joback Calculated Property
logPoct/wat 2.93 Crippen Calculated Property
Pc 2850.52 kPa Joback Calculated Property
Tboil 428.34 K Joback Calculated Property
Tc 615.63 K Joback Calculated Property
Tfus 206.35 ± 0.30 K NIST
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 245.59 J/mol×K 428.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH2- 5
-CH3 2
-S- 1

Similar Compounds

7-Thia-1-octanethiol. Heptane, 1-(methylthio)-. Decyl methyl sulfide. Methyl n-nonyl sulphide. Octadecane, 1-(methylthio)-. n-Dodecylmethyl sulfide. Methyl n-octyl sulfide. 2-Thiatridecane. Pentane, 1-(methylthio)-. 6-Thiadodecane. hexyl propyl sulfide. 5-Thiaundecane. Hexane, 1,1'-thiobis-. Hexane, 1-(ethylthio)-. Thiepane.

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