ChemSpider 2D Image | Dibromofluoromethane | CHBr2F

Dibromofluoromethane

  • Molecular FormulaCHBr2F
  • Average mass191.825 Da
  • Monoisotopic mass189.842896 Da
  • ChemSpider ID55219

More details:






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

1868-53-7 [RN]
Dibrom(fluor)methan [German] [ACD/IUPAC Name]
Dibromo(fluoro)methane [ACD/IUPAC Name]
Dibromo(fluoro)méthane [French] [ACD/IUPAC Name]
Dibromofluoromethane
fluorodibromomethane
Methane, dibromofluoro- [ACD/Index Name]
[1868-53-7]
B124225
Dibromo fluoro methane
More...

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

B0517W9BLP [DBID]
UNII:B0517W9BLP [DBID]
UNII-B0517W9BLP [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 67.8±8.0 °C at 760 mmHg
Vapour Pressure: 155.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.7±3.0 kJ/mol
Flash Point: -5.2±18.4 °C
Index of Refraction: 1.488
Molar Refractivity: 22.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.78
ACD/KOC (pH 5.5): 250.71
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.78
ACD/KOC (pH 7.4): 250.71
Polar Surface Area: 0 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 77.2±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) =  1.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  95.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -62.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  174  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -78 deg C
    BP  (exp database):  64.9 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3149
       log Kow used: 1.39 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5104.4 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.95E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.395E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.39  (KowWin est)
  Log Kaw used:  -1.098  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.488
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5639
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8332  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6417  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3017
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.3884
 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):  2.28E+004 Pa (171 mm Hg)
  Log Koa (Koawin est  ): 2.488
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.32E-010 
       Octanol/air (Koa) model:  7.55E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.75E-009 
       Mackay model           :  1.05E-008 
       Octanol/air (Koa) model:  6.04E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0143 E-12 cm3/molecule-sec
      Half-Life =   748.127 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.64E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  8.782E-002  L/mol-sec
  Kb Half-Life at pH 8:      91.344  days   
  Kb Half-Life at pH 7:       2.501  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.368 (BCF = 2.332)
       log Kow used: 1.39 (estimated)

 Volatilization from Water:
    Henry LC:  0.00195 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.829  hours
    Half-Life from Model Lake :      136.1  hours   (5.67 days)

 Removal In Wastewater Treatment:
    Total removal:              44.95  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     1.17  percent
    Total to Air:               43.72  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       46.7            1.8e+004     1000       
   Water     40.4            360          1000       
   Soil      12.7            720          1000       
   Sediment  0.0912          3.24e+003    0          
     Persistence Time: 167 hr




                    

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