ChemSpider 2D Image | 5-(Methylsulfanyl)-1,2-pentadien-4-yne | C6H6S

5-(Methylsulfanyl)-1,2-pentadien-4-yne

  • Molecular FormulaC6H6S
  • Average mass110.177 Da
  • Monoisotopic mass110.019020 Da
  • ChemSpider ID95763980

More details:

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

1,2-Pentadien-4-yne, 5-(methylthio)- [ACD/Index Name]
5-(Methylsulfanyl)-1,2-pentadien-4-in [German] [ACD/IUPAC Name]
5-(Methylsulfanyl)-1,2-pentadien-4-yne [ACD/IUPAC Name]
5-(Méthylsulfanyl)-1,2-pentadién-4-yne [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 169.6±23.0 °C at 760 mmHg
Vapour Pressure: 2.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.9±3.0 kJ/mol
Flash Point: 56.2±19.7 °C
Index of Refraction: 1.511
Molar Refractivity: 35.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.56
ACD/KOC (pH 5.5): 868.80
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.56
ACD/KOC (pH 7.4): 868.80
Polar Surface Area: 25 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 18.8±3.0 dyne/cm
Molar Volume: 118.6±3.0 cm3

Click to predict properties on the Chemicalize site


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