Chemical Properties of Pentanenitrile, 5-(methylthio)- (CAS 59121-25-4)

Pentanenitrile, 5-(methylthio)-

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InChI
InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3
InChI Key
XPUDGEZWSNPCMM-UHFFFAOYSA-N
Formula
C6H11NS
SMILES
CSCCCCC#N
Molecular Weight1
129.22
CAS
59121-25-4
Other Names
  • 4-(Methylthio)butyl cyanide
  • 5-(Methylthio)pentanenitrile
  • 5-Methylthiopentanonitrile
  • 5-Methylthiopentyl nitrile
Sources

Physical Properties

Property Value Unit Source
Δf 165.94 kJ/mol Joback Calculated Property
Δfgas 39.58 kJ/mol Joback Calculated Property
Δfus 16.93 kJ/mol Joback Calculated Property
Δvap 46.25 kJ/mol Joback Calculated Property
logPoct/wat 2.04 Crippen Calculated Property
Pc 3079.57 kPa Joback Calculated Property
Tboil 507.54 K Joback Calculated Property
Tc 717.83 K Joback Calculated Property
Tfus 256.77 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 233.16 J/mol×K 507.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
-CH2- 4
-CH3 1
-S- 1

Similar Compounds

6-(Methylthio)hexanenitrile. 7-Methylthioheptanenitrile. Pentane, 1-(methylthio)-. 9-(Methylthio)nonanonitrile. 8-Methylthiooctanonitrile. Butanenitrile, 4-(methylthio)-. Sulforaphane nitrile. 2-Thiiranebutanenitrile. 1-cyano-3,4-epithiobutane. 6-Thia-1-heptanethiol. Pentane, 1,5-bis(methylthio)-. Hexane, 1-(methylthio)-. 7-Thia-1-octanethiol. Pentane, 1-(ethylthio)-. Pentane, 1,1'-thiobis-.

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