ChemSpider 2D Image | Tetrabromoethylene | C2Br4

Tetrabromoethylene

  • Molecular FormulaC2Br4
  • Average mass343.637 Da
  • Monoisotopic mass339.673309 Da
  • ChemSpider ID59617

More details:






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

201-192-0 [EINECS]
79-28-7 [RN]
Ethene, 1,1,2,2-tetrabromo- [ACD/Index Name]
Ethene, tetrabromo-
Ethylene, tetrabromo-
Tetrabromethen [German] [ACD/IUPAC Name]
Tetrabromoethene [ACD/IUPAC Name]
Tétrabromoéthène [French] [ACD/IUPAC Name]
Tetrabromoethylene [Wiki]
1,1,2,2-tetrabromoethene
More...

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

NSC 328430 [DBID]
NSC328430 [DBID]

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

Density: 3.2±0.1 g/cm3
Boiling Point: 226.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 78.1±19.3 °C
Index of Refraction: 1.710
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 557.14
ACD/KOC (pH 5.5): 3214.87
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 557.14
ACD/KOC (pH 7.4): 3214.87
Polar Surface Area: 0 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 107.5±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) =  2.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  255.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  40.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0706  (Modified Grain method)
    MP  (exp database):  56.5 deg C
    BP  (exp database):  226 deg C
    Subcooled liquid VP: 0.138 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):  43.27
       log Kow used: 2.57 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2384.9 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.74E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.377E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.57  (KowWin est)
  Log Kaw used:  -2.400  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.970
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3993
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5556  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4935  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0768
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  2.2724
 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):  18.4 Pa (0.138 mm Hg)
  Log Koa (Koawin est  ): 4.970
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.63E-007 
       Octanol/air (Koa) model:  2.29E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.89E-006 
       Mackay model           :  1.3E-005 
       Octanol/air (Koa) model:  1.83E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.5027 E-12 cm3/molecule-sec
      Half-Life =    21.278 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.000067 E-17 cm3/molecule-sec
      Half-Life = 17046.449 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 9.47E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  106.8
      Log Koc:  2.029 

 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 = 1.278 (BCF = 18.99)
       log Kow used: 2.57 (estimated)

 Volatilization from Water:
    Henry LC:  9.74E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      13.03  hours
    Half-Life from Model Lake :      297.6  hours   (12.4 days)

 Removal In Wastewater Treatment:
    Total removal:               7.90  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.10  percent
    Total to Air:                4.70  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.45            510          1000       
   Water     19.5            900          1000       
   Soil      74.8            1.8e+003     1000       
   Sediment  0.182           8.1e+003     0          
     Persistence Time: 798 hr




                    

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