ChemSpider 2D Image | 5-[(Butylsulfanyl)methylene]-3-heptene | C12H22S

5-[(Butylsulfanyl)methylene]-3-heptene

  • Molecular FormulaC12H22S
  • Average mass198.368 Da
  • Monoisotopic mass198.144226 Da
  • ChemSpider ID28685509

More details:

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

3-Heptene, 5-[(butylthio)methylene]- [ACD/Index Name]
5-[(Butylsulfanyl)methylen]-3-hepten [German] [ACD/IUPAC Name]
5-[(Butylsulfanyl)methylene]-3-heptene [ACD/IUPAC Name]
5-[(Butylsulfanyl)méthylène]-3-heptène [French] [ACD/IUPAC Name]
141459-30-5 [RN]
5-[(Butylsulfanyl)methylidene]hept-3-ene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 283.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.1±3.0 kJ/mol
Flash Point: 114.3±15.4 °C
Index of Refraction: 1.488
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3116.36
ACD/KOC (pH 5.5): 11024.22
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3116.36
ACD/KOC (pH 7.4): 11024.22
Polar Surface Area: 25 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 29.6±3.0 dyne/cm
Molar Volume: 227.6±3.0 cm3

Click to predict properties on the Chemicalize site


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