ChemSpider 2D Image | Dibromodifluoromethane | CBr2F2

Dibromodifluoromethane

  • Molecular FormulaCBr2F2
  • Average mass209.816 Da
  • Monoisotopic mass207.833466 Da
  • ChemSpider ID6142

More details:






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

75-61-6 [RN]
Carbon dibromide difluoride
Dibrom(difluor)methan [German] [ACD/IUPAC Name]
Dibromo(difluoro)methane [ACD/IUPAC Name]
Dibromo(difluoro)méthane [French] [ACD/IUPAC Name]
Dibromodifluoromethane [Wiki]
F 12B2
Freon 12B2
Methane, dibromodifluoro- [ACD/Index Name]
200-885-5 [EINECS]
More...

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

UN 1941 [DBID]
34125_FLUKA [DBID]
BRN 1732515 [DBID]
Halon 1202 [DBID]
HSDB 1335 [DBID]
UN1941 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 26.4±8.0 °C at 760 mmHg
Vapour Pressure: 723.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 26.1±3.0 kJ/mol
Flash Point: -30.3±18.4 °C
Index of Refraction: 1.457
Molar Refractivity: 22.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.74
ACD/KOC (pH 5.5): 476.86
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.74
ACD/KOC (pH 7.4): 476.86
Polar Surface Area: 0 Å2
Polarizability: 8.9±0.5 10-24cm3
Surface Tension: 28.5±3.0 dyne/cm
Molar Volume: 82.3±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) =  1.99

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  88.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -55.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  760  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -110.1 deg C
    BP  (exp database):  25 deg C
    VP  (exp database):  8.20E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  139.7
       log Kow used: 1.99 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1163.5 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.08E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.502E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.99  (KowWin est)
  Log Kaw used:  0.100  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.890
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3714
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5813  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4623  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3838
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2200
 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):  1.09E+005 Pa (820 mm Hg)
  Log Koa (Koawin est  ): 1.890
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.74E-011 
       Octanol/air (Koa) model:  1.91E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.91E-010 
       Mackay model           :  2.2E-009 
       Octanol/air (Koa) model:  1.52E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.59E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.836 (BCF = 6.851)
       log Kow used: 1.99 (estimated)

 Volatilization from Water:
    Henry LC:  0.0308 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.506  hours
    Half-Life from Model Lake :      137.9  hours   (5.745 days)

 Removal In Wastewater Treatment:
    Total removal:              92.30  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.61  percent
    Total to Air:               91.67  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.9            1e+005       1000       
   Water     46.6            900          1000       
   Soil      2.37            1.8e+003     1000       
   Sediment  0.178           8.1e+003     0          
     Persistence Time: 169 hr




                    

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