ChemSpider 2D Image | 3-Bromo-4-methyl-4-(2-propyn-1-yloxy)-2-pentanone | C9H13BrO2

3-Bromo-4-methyl-4-(2-propyn-1-yloxy)-2-pentanone

  • Molecular FormulaC9H13BrO2
  • Average mass233.102 Da
  • Monoisotopic mass232.009888 Da
  • ChemSpider ID28672254

More details:

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

2-Pentanone, 3-bromo-4-methyl-4-(2-propyn-1-yloxy)- [ACD/Index Name]
3-Brom-4-methyl-4-(2-propin-1-yloxy)-2-pentanon [German] [ACD/IUPAC Name]
3-Bromo-4-methyl-4-(2-propyn-1-yloxy)-2-pentanone [ACD/IUPAC Name]
3-Bromo-4-méthyl-4-(2-propyn-1-yloxy)-2-pentanone [French] [ACD/IUPAC Name]
112332-52-2 [RN]
2-PENTANONE, 3-BROMO-4-METHYL-4-(2-PROPYNYLOXY)-
3-Bromo-4-methyl-4-[(prop-2-yn-1-yl)oxy]pentan-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 283.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.2±3.0 kJ/mol
Flash Point: 125.1±23.2 °C
Index of Refraction: 1.485
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.43
ACD/KOC (pH 5.5): 301.64
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.43
ACD/KOC (pH 7.4): 301.64
Polar Surface Area: 26 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 177.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement