Found 2 results

Search term: XWAIAHGGCLXSQW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-8-Bromo-1-octyn-3-ol | C8H13BrO

(3S)-8-Bromo-1-octyn-3-ol

  • Molecular FormulaC8H13BrO
  • Average mass205.092 Da
  • Monoisotopic mass204.014969 Da
  • ChemSpider ID98607389

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-8-Brom-1-octin-3-ol [German] [ACD/IUPAC Name]
(3S)-8-Bromo-1-octyn-3-ol [ACD/IUPAC Name]
(3S)-8-Bromo-1-octyn-3-ol [French] [ACD/IUPAC Name]
1-Octyn-3-ol, 8-bromo-, (3S)- [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: 252.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 57.0±6.0 kJ/mol
Flash Point: 106.8±24.6 °C
Index of Refraction: 1.506
Molar Refractivity: 46.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.91
ACD/KOC (pH 5.5): 296.14
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.91
ACD/KOC (pH 7.4): 296.14
Polar Surface Area: 20 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 155.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement