ChemSpider 2D Image | (1S)-1-Bromoethyl acetate | C4H7BrO2

(1S)-1-Bromoethyl acetate

  • Molecular FormulaC4H7BrO2
  • Average mass167.001 Da
  • Monoisotopic mass165.962936 Da
  • ChemSpider ID114724751

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-Bromethyl-acetat [German] [ACD/IUPAC Name]
(1S)-1-Bromoethyl acetate [ACD/IUPAC Name]
Acétate de (1S)-1-bromoéthyle [French] [ACD/IUPAC Name]
Ethanol, 1-bromo-, acetate, (1S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 141.6±23.0 °C at 760 mmHg
Vapour Pressure: 5.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.9±3.0 kJ/mol
Flash Point: 68.5±13.0 °C
Index of Refraction: 1.451
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.32
ACD/KOC (pH 5.5): 115.17
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.32
ACD/KOC (pH 7.4): 115.17
Polar Surface Area: 26 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 111.6±3.0 cm3

Click to predict properties on the Chemicalize site


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