ChemSpider 2D Image | (1S)-1-(4-Bromophenyl)-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethanol | C13H18BrO4P

(1S)-1-(4-Bromophenyl)-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethanol

  • Molecular FormulaC13H18BrO4P
  • Average mass349.157 Da
  • Monoisotopic mass348.012604 Da
  • ChemSpider ID30656795

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(4-Bromophenyl)-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethanol [ACD/IUPAC Name]
(1S)-1-(4-Bromophényl)-1-(5,5-diméthyl-2-oxydo-1,3,2-dioxaphosphinan-2-yl)éthanol [French] [ACD/IUPAC Name]
(1S)-1-(4-Bromphenyl)-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethanol [German] [ACD/IUPAC Name]
1,3,2-Dioxaphosphorinane-2-methanol, α-(4-bromophenyl)-α,5,5-trimethyl-, 2-oxide, (αS)- [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: 439.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 219.5±27.3 °C
Index of Refraction: 1.563
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.56
ACD/KOC (pH 5.5): 475.32
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.56
ACD/KOC (pH 7.4): 475.32
Polar Surface Area: 66 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 235.8±5.0 cm3

Click to predict properties on the Chemicalize site


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