Found 59 results

Search term: MF = 'C_{8}H_{15}BrOS'
ChemSpider 2D Image | 1-Bromo-7-(methylsulfanyl)-4-heptanone | C8H15BrOS

1-Bromo-7-(methylsulfanyl)-4-heptanone

  • Molecular FormulaC8H15BrOS
  • Average mass239.173 Da
  • Monoisotopic mass238.002686 Da
  • ChemSpider ID53469444

More details:

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

1-Brom-7-(methylsulfanyl)-4-heptanon [German] [ACD/IUPAC Name]
1-Bromo-7-(methylsulfanyl)-4-heptanone [ACD/IUPAC Name]
1-Bromo-7-(méthylsulfanyl)-4-heptanone [French] [ACD/IUPAC Name]
4-Heptanone, 1-bromo-7-(methylthio)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 312.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 142.7±23.7 °C
Index of Refraction: 1.505
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.50
ACD/KOC (pH 5.5): 694.49
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.50
ACD/KOC (pH 7.4): 694.49
Polar Surface Area: 42 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 184.9±3.0 cm3

Click to predict properties on the Chemicalize site


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