ChemSpider 2D Image | 1-(Benzylsulfanyl)-2-propanyl 2-bromopropanoate | C13H17BrO2S

1-(Benzylsulfanyl)-2-propanyl 2-bromopropanoate

  • Molecular FormulaC13H17BrO2S
  • Average mass317.242 Da
  • Monoisotopic mass316.013245 Da
  • ChemSpider ID28696482

More details:

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

1-(Benzylsulfanyl)-2-propanyl 2-bromopropanoate [ACD/IUPAC Name]
1-(Benzylsulfanyl)-2-propanyl-2-brompropanoat [German] [ACD/IUPAC Name]
2-Bromopropanoate de 1-(benzylsulfanyl)-2-propanyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-bromo-, 1-methyl-2-[(phenylmethyl)thio]ethyl ester [ACD/Index Name]
1-(Benzylsulfanyl)propan-2-yl 2-bromopropanoate
89039-98-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 380.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.8±23.7 °C
Index of Refraction: 1.560
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 596.03
ACD/KOC (pH 5.5): 3373.94
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 596.03
ACD/KOC (pH 7.4): 3373.94
Polar Surface Area: 52 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 236.2±3.0 cm3

Click to predict properties on the Chemicalize site


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