ChemSpider 2D Image | 1,2-Dibromotetrafluoroethane | C2Br2F4

1,2-Dibromotetrafluoroethane

  • Molecular FormulaC2Br2F4
  • Average mass259.823 Da
  • Monoisotopic mass257.830261 Da
  • ChemSpider ID29041

More details:






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

1,2-Dibromotetrafluoroethane
1,2-Dibrom-1,1,2,2-tetrafluorethan [German] [ACD/IUPAC Name]
1,2-Dibromo-1,1,2,2-tetrafluoroethane [ACD/IUPAC Name]
1,2-Dibromo-1,1,2,2-tétrafluoroéthane [French] [ACD/IUPAC Name]
1,2-dibromoperfluoroethane
124-73-2 [RN]
204-711-9 [EINECS]
Daiflon 114B2
Dibromotetrafluoroethane [Wiki]
Ethane, 1,2-dibromo-1,1,2,2-tetrafluoro- [ACD/Index Name]
More...

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

BRN 1740342 [DBID]
Halon 2402 [DBID]
Halon-2402 [DBID]
HSDB 6785 [DBID]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 49.2±8.0 °C at 760 mmHg
Vapour Pressure: 314.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 28.1±3.0 kJ/mol
Flash Point: -16.4±18.4 °C
Index of Refraction: 1.413
Molar Refractivity: 27.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.69
ACD/KOC (pH 5.5): 1101.04
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.69
ACD/KOC (pH 7.4): 1101.04
Polar Surface Area: 0 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 24.5±3.0 dyne/cm
Molar Volume: 109.8±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) =  2.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  93.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -46.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  339  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -110.4 deg C
    BP  (exp database):  47.3 deg C
    VP  (exp database):  3.25E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  11.19
       log Kow used: 2.96 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL ET AL. (1999)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  61.797 mg/L
    Wat Sol (Exper. database match) =  3.00
       Exper. Ref:  HORVATH,AL ET AL. (1999)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.62E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.036E+001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.96  (KowWin est)
  Log Kaw used:  0.821  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.139
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1637
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2587  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2368  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3374
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8858
 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):  4.33E+004 Pa (325 mm Hg)
  Log Koa (Koawin est  ): 2.139
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.92E-011 
       Octanol/air (Koa) model:  3.38E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.5E-009 
       Mackay model           :  5.54E-009 
       Octanol/air (Koa) model:  2.7E-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): 4.02E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  224.7
      Log Koc:  2.352 

 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 = 1.580 (BCF = 37.99)
       log Kow used: 2.96 (estimated)

 Volatilization from Water:
    Henry LC:  0.162 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.651  hours
    Half-Life from Model Lake :      153.2  hours   (6.382 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.45  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     2.37  percent
    Total to Air:               96.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.2            1e+005       1000       
   Water     45.7            900          1000       
   Soil      3.12            1.8e+003     1000       
   Sediment  0.953           8.1e+003     0          
     Persistence Time: 171 hr




                    

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