ChemSpider 2D Image | 1-{[(5-Bromopentyl)oxy]methyl}pyrene | C22H21BrO

1-{[(5-Bromopentyl)oxy]methyl}pyrene

  • Molecular FormulaC22H21BrO
  • Average mass381.306 Da
  • Monoisotopic mass380.077576 Da
  • ChemSpider ID28560316

More details:

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

1-{[(5-Bromopentyl)oxy]methyl}pyrene [ACD/IUPAC Name]
1-{[(5-Bromopentyl)oxy]méthyl}pyrène [French] [ACD/IUPAC Name]
1-{[(5-Brompentyl)oxy]methyl}pyren [German] [ACD/IUPAC Name]
Pyrene, 1-[[(5-bromopentyl)oxy]methyl]- [ACD/Index Name]
766532-19-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 510.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 243.2±32.0 °C
Index of Refraction: 1.714
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 106427.73
ACD/KOC (pH 5.5): 138020.80
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 106427.73
ACD/KOC (pH 7.4): 138020.80
Polar Surface Area: 9 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 280.4±3.0 cm3

Click to predict properties on the Chemicalize site


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