ChemSpider 2D Image | 1-(2-Propyn-1-ylsulfanyl)-1-propyne | C6H6S

1-(2-Propyn-1-ylsulfanyl)-1-propyne

  • Molecular FormulaC6H6S
  • Average mass110.177 Da
  • Monoisotopic mass110.019020 Da
  • ChemSpider ID74026309

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2-Propin-1-ylsulfanyl)-1-propin [German] [ACD/IUPAC Name]
1-(2-Propyn-1-ylsulfanyl)-1-propyne [ACD/IUPAC Name]
1-(2-Propyn-1-ylsulfanyl)-1-propyne [French] [ACD/IUPAC Name]
1-Propyne, 1-(2-propyn-1-ylthio)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 153.9±42.0 °C at 760 mmHg
Vapour Pressure: 4.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.5±3.0 kJ/mol
Flash Point: 44.1±24.9 °C
Index of Refraction: 1.532
Molar Refractivity: 33.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.04
ACD/KOC (pH 5.5): 443.86
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.04
ACD/KOC (pH 7.4): 443.86
Polar Surface Area: 25 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 108.6±3.0 cm3

Click to predict properties on the Chemicalize site


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