ChemSpider 2D Image | 5-Bromoacenaphthene | C12H9Br

5-Bromoacenaphthene

  • Molecular FormulaC12H9Br
  • Average mass233.104 Da
  • Monoisotopic mass231.988754 Da
  • ChemSpider ID21159578

More details:

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

2051-98-1 [RN]
218-138-7 [EINECS]
5-Brom-1,2-dihydroacenaphthylen [German] [ACD/IUPAC Name]
5-Bromo-1,2-dihydroacenaphthylene [ACD/IUPAC Name]
5-Bromo-1,2-dihydroacénaphtylène [French] [ACD/IUPAC Name]
5-Bromoacenaphthene
Acenaphthylene, 5-bromo-1,2-dihydro- [ACD/Index Name]
[2051-98-1] [RN]
2-(methylthio)-4,5-dihydro-1H-imidazole
5-Bromo-1,2-dihydroacenaphthylene|5-Bromoacenaphthene
More...

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

MFCD00003809 [DBID]
CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Gas Chromatography

    • Retention Index (Kovats):

      1797 (estimated with error: 62) NIST Spectra mainlib_107631, replib_11143

    • Retention Index (Normal Alkane):

      1755 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1.8 m; Column type: Packed; CAS no: 2051981; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb W HP; Data type: Normal alkane RI; Authors: Yurawecz, M.P.; Puma, B.J., Gas chromatographic determination of electron capture sensitive volatile industrial chemical residues in foods, using AOAC pesticide multiresidue extraction and cleanup procedures, J. Ass. Offic. Anal. Chem, 69(1), 1986, 80-86.) NIST Spectra nist ri

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

Density: 1.5±0.1 g/cm3
Boiling Point: 335.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 162.3±16.5 °C
Index of Refraction: 1.715
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1844.83
ACD/KOC (pH 5.5): 7574.77
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1844.83
ACD/KOC (pH 7.4): 7574.77
Polar Surface Area: 0 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 151.1±3.0 cm3

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