ChemSpider 2D Image | (2R,3R)-1-Bromo-2,3-pentanediol | C5H11BrO2

(2R,3R)-1-Bromo-2,3-pentanediol

  • Molecular FormulaC5H11BrO2
  • Average mass183.044 Da
  • Monoisotopic mass181.994232 Da
  • ChemSpider ID61392569

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-1-Brom-2,3-pentandiol [German] [ACD/IUPAC Name]
(2R,3R)-1-Bromo-2,3-pentanediol [ACD/IUPAC Name]
(2R,3R)-1-Bromo-2,3-pentanediol [French] [ACD/IUPAC Name]
2,3-Pentanediol, 1-bromo-, (2R,3R)- [ACD/Index Name]
[2R,3R,(-)]-1-Bromo-2,3-pentanediol
101221-91-4 [RN]
89635-23-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 278.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.0±6.0 kJ/mol
Flash Point: 122.3±23.2 °C
Index of Refraction: 1.511
Molar Refractivity: 35.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.01
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.01
Polar Surface Area: 40 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 120.0±3.0 cm3

Click to predict properties on the Chemicalize site


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