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Search term: 28342-75-8 (Found by approved synonym)
ChemSpider 2D Image | 1,5-Dibromo-2,4-difluorobenzene | C6H2Br2F2

1,5-Dibromo-2,4-difluorobenzene

  • Molecular FormulaC6H2Br2F2
  • Average mass271.885 Da
  • Monoisotopic mass269.849121 Da
  • ChemSpider ID8739899

More details:

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

1,5-Dibrom-2,4-difluorbenzol [German] [ACD/IUPAC Name]
1,5-Dibromo-2,4-difluorobenzene [ACD/IUPAC Name]
1,5-Dibromo-2,4-difluorobenzène [French] [ACD/IUPAC Name]
28342-75-8 [RN]
Benzene, 1,5-dibromo-2,4-difluoro- [ACD/Index Name]
FR CF DE FE [WLN]
[28342-75-8] [RN]
1,3-Dibromo-4,6-difluorobenzene
1,3-Dibromo-4,6-Difluorobenzene (en)
2,4-Dibromo-1,5-difluorobenzene
More...

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

CCRIS 4693 [DBID]
PubChem Substance ID 24859066 [DBID]

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

    Density: 2.1±0.1 g/cm3
    Boiling Point: 201.4±35.0 °C at 760 mmHg
    Vapour Pressure: 0.4±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.0±3.0 kJ/mol
    Flash Point: 75.6±25.9 °C
    Index of Refraction: 1.552
    Molar Refractivity: 41.6±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.55
    ACD/LogD (pH 5.5): 3.58
    ACD/BCF (pH 5.5): 309.47
    ACD/KOC (pH 5.5): 2110.53
    ACD/LogD (pH 7.4): 3.58
    ACD/BCF (pH 7.4): 309.47
    ACD/KOC (pH 7.4): 2110.53
    Polar Surface Area: 0 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 37.6±3.0 dyne/cm
    Molar Volume: 130.2±3.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  207.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  27.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.216  (Modified Grain method)
    Subcooled liquid VP: 0.23 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.86
       log Kow used: 4.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  101.27 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.16E-003  atm-m3/mole
   Group Method:   7.39E-003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.590E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.17  (KowWin est)
  Log Kaw used:  -1.324  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.494
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.2226
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.5125  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.1754  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2880
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6452
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  30.7 Pa (0.23 mm Hg)
  Log Koa (Koawin est  ): 5.494
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.78E-008 
       Octanol/air (Koa) model:  7.66E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.53E-006 
       Mackay model           :  7.83E-006 
       Octanol/air (Koa) model:  6.12E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2513 E-12 cm3/molecule-sec
      Half-Life =    42.558 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.68E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1186
      Log Koc:  3.074 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.514 (BCF = 326.5)
       log Kow used: 4.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.00739 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.813  hours
    Half-Life from Model Lake :        158  hours   (6.585 days)

 Removal In Wastewater Treatment:
    Total removal:              80.48  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    27.19  percent
    Total to Air:               53.12  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.36            1.02e+003    1000       
   Water     6.76            4.32e+003    1000       
   Soil      83.4            8.64e+003    1000       
   Sediment  4.52            3.89e+004    0          
     Persistence Time: 1.39e+003 hr

    Click to predict properties on the Chemicalize site


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