ChemSpider 2D Image | 1-ADAMANTYL BROMOMETHYL KETONE | C12H17BrO

1-ADAMANTYL BROMOMETHYL KETONE

  • Molecular FormulaC12H17BrO
  • Average mass257.167 Da
  • Monoisotopic mass256.046265 Da
  • ChemSpider ID23076098

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(3s,5s,7s)-Adamantan-1-yl]-2-bromethanon [German] [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]-2-bromoethanone [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]-2-bromoéthanone [French] [ACD/IUPAC Name]
1-ADAMANTYL BROMOMETHYL KETONE
225-860-6 [EINECS]
Ethanone, 2-bromo-1-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
1-ADAMANTYLBROMOMETHYLKETONE
Bromomethyl adamantyl ketone

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

MFCD00074740 [DBID]
225-860-676-79 [DBID]
76-79 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 320.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 61.1±7.7 °C
Index of Refraction: 1.575
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.59
ACD/KOC (pH 5.5): 1486.17
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.59
ACD/KOC (pH 7.4): 1486.17
Polar Surface Area: 17 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 178.6±3.0 cm3

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