Chemical Properties of Propanenitrile, 3,3'-thiobis- (CAS 111-97-7)

Propanenitrile, 3,3'-thiobis-

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InChI
InChI=1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2
InChI Key
NDVLTZFQVDXFAN-UHFFFAOYSA-N
Formula
C6H8N2S
SMILES
N#CCCSCCC#N
Molecular Weight1
140.21
CAS
111-97-7
Other Names
  • 2,2'-Thiodiethylkyanid
  • 2-Cyanoethyl sulfide
  • 2-Cyanoethyl thioether
  • 3,3'-Thiodipropionitrile
  • 3,3'-thiodipropiononitrile
  • Bis(2-cyanoethyl) sulfide
  • Bis-(2-cyanoethyl) sulphide
  • Di(2-cyanoethyl) sulfide
  • Dicyanoethyl sulfide
  • NSC 2040
  • Nitril kyseliny «beta»,«beta»'-thiodipropionove
  • Propionitrile, 3,3'-thiodi-
  • Sulfide, bis(2-cyanoethyl)
  • Thiobis(2-cyanoethane)
  • Thiodipropionitrile
  • USAF HA-5
  • beta,beta'-Thiodipropionitrile
  • «beta»,«beta»'-Dicyanodiethyl sulfide
  • «beta»,«beta»'-Thiodipropionitrile
Sources

Physical Properties

Property Value Unit Source
Δf 299.12 kJ/mol Joback Calculated Property
Δfgas 204.46 kJ/mol Joback Calculated Property
Δfliquid 96.30 ± 5.00 kJ/mol NIST
Δfus 18.44 kJ/mol Joback Calculated Property
Δvap 56.72 kJ/mol Joback Calculated Property
logPoct/wat 1.55 Crippen Calculated Property
Pc 2995.87 kPa Joback Calculated Property
Tboil 609.62 K Joback Calculated Property
Tc 835.89 K Joback Calculated Property
Tfus [295.25; 301.80] K Show Hide
Tfus 301.75 ± 0.30 K NIST
Tfus 301.70 ± 0.20 K NIST
Tfus 301.80 ± 0.15 K NIST
Tfus 295.25 ± 0.30 K NIST
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 247.97 J/mol×K 609.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 2
-S- 1
-CH2- 4

Similar Compounds

Propane, 1,1'-thiobis-. Sulfide, ethyl propyl. Butane, 1-(ethylthio)-. Di-n-butyl sulfide. Butane, 1-(propylthio)-. Diisobutyl sulfide. Propyl 2-methylpropylsulfide. 4-Thia-1-hexanethiol. Propane, 1,1'-thiobis[3-chloro-. 5-Thia-1-heptanethiol. 2,6-dithianonane. Propane, 1-[(1-methylethyl)thio]-. 1-Cyano-2,3-epithiopropane. Butane, 2,2'-thiobis-. Butanenitrile, 4-(methylthio)-.

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