Methylbenzyl bromide C8H9Br structure

Flashcard maker : Marie Florence

C8H9Br structure
Molecular Formula C8H9Br
Average mass 185.061 Da
Density 1.4±0.1 g/cm3
Boiling Point 203.0±0.0 °C at 760 mmHg
Flash Point 81.7±0.0 °C
Molar Refractivity 43.5±0.3 cm3
Polarizability 17.3±0.5 10-24cm3
Surface Tension 36.5±3.0 dyne/cm
Molar Volume 136.2±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -65 °C SynQuest
      -65 °C Alfa Aesar
      -65 °C Jean-Claude Bradley Open Melting Point Dataset 923
      -65 °C Alfa Aesar A16839
      -65 °C SynQuest 55850, 1700-9-01
    • Experimental Boiling Point:

      200 °C Alfa Aesar
      200 °C Alfa Aesar A16839
      94 °C / 16 mmHg (227.5116 °C / 760 mmHg)
      SynQuest 55850, 1700-9-01
    • Experimental Flash Point:

      81 °C Alfa Aesar
      81 °C Alfa Aesar
      81 °F (27.2222 °C)
      Alfa Aesar A16839
      82 °C SynQuest 55850, 1700-9-01
      96 °C LabNetwork LN00334975
    • Experimental Gravity:

      25 g/mL SynQuest 1700-9-01
      1.356 g/mL Alfa Aesar A16839
      1.356 g/mL SynQuest 1700-9-01
    • Experimental Refraction Index:

      1.56 Alfa Aesar A16839
      1.56 SynQuest 55850, 1700-9-01
  • Miscellaneous
    • Safety:

      26-37 Alfa Aesar A16839
      36/37/38 Alfa Aesar A16839
      GHS07 Biosynth W-105384
      H315; H319; H335 Biosynth W-105384
      H315-H319-H335 Alfa Aesar A16839
      Lachrymator SynQuest 1700-9-01, 55850
      P261; P305+P351+P338 Biosynth W-105384
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A16839
      R36/37/38 SynQuest 1700-9-01, 55850
      S26 SynQuest 1700-9-01, 55850
      TBC SynQuest 1700-9-01
      Warning Alfa Aesar A16839
      Warning Biosynth W-105384
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A16839
  • Gas Chromatography
    • Retention Index (Kovats):

      1125 (estimated with error: 62) NIST Spectra mainlib_228689, replib_107453, replib_160523
    • Retention Index (Normal Alkane):

      1139 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column length: 25 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 30 C; End T: 250 C; Start time: 5 min; CAS no: 585717; Active phase: SE-30; Carrier gas: Nitrogen; Data type: Normal alkane RI; Authors: Krasnykh, E.L.; Vasiltsova, T.V.; Varavkin, S.P.; Heintz, A., Vapor pressures and entalpies of vaporization of benzyl halides and benzyl ethers, J. Chem. Eng. Data, 47, 2002, 1372-1378.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 203.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 42.1±3.0 kJ/mol
Flash Point: 81.7±0.0 °C
Index of Refraction: 1.552
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.91
ACD/KOC (pH 5.5): 1177.27
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.91
ACD/KOC (pH 7.4): 1177.27
Polar Surface Area: 0 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 136.2±3.0 cm3

Click to predict properties on the Chemicalize site

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