ChemSpider 2D Image | (1E)-1-[(1E)-1-Buten-3-yn-1-ylsulfanyl]-1-buten-3-yne | C8H6S

(1E)-1-[(1E)-1-Buten-3-yn-1-ylsulfanyl]-1-buten-3-yne

  • Molecular FormulaC8H6S
  • Average mass134.198 Da
  • Monoisotopic mass134.019012 Da
  • ChemSpider ID67038306

More details:

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

(1E)-1-[(1E)-1-Buten-3-in-1-ylsulfanyl]-1-buten-3-in [German] [ACD/IUPAC Name]
(1E)-1-[(1E)-1-Buten-3-yn-1-ylsulfanyl]-1-buten-3-yne [ACD/IUPAC Name]
(1E)-1-[(1E)-1-Butén-3-yn-1-ylsulfanyl]-1-butén-3-yne [French] [ACD/IUPAC Name]
1-Buten-3-yne, 1,1'-thiobis-, (1E,1'E)- [ACD/Index Name]
1-buten-3-ynyl sulfide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 153.2±25.0 °C at 760 mmHg
Vapour Pressure: 4.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.4±3.0 kJ/mol
Flash Point: 37.1±19.8 °C
Index of Refraction: 1.577
Molar Refractivity: 42.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.18
ACD/KOC (pH 5.5): 684.45
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.18
ACD/KOC (pH 7.4): 684.45
Polar Surface Area: 25 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 129.3±3.0 cm3

Click to predict properties on the Chemicalize site


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