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Search term: 15219-34-8 (Found by approved synonym)
ChemSpider 2D Image | Oxalyl bromide | C2Br2O2

Oxalyl bromide

  • Molecular FormulaC2Br2O2
  • Average mass215.828 Da
  • Monoisotopic mass213.826492 Da
  • ChemSpider ID76534

More details:

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

15219-34-8 [RN]
239-271-7 [EINECS]
Dibromure d'éthanedioyle [French] [ACD/IUPAC Name]
Ethandioyldibromid [German] [ACD/IUPAC Name]
ethanedioyl bromide
Ethanedioyl dibromide [ACD/Index Name] [ACD/IUPAC Name]
MFCD00000113 [MDL number]
Oxalyl bromide
1546-11-8 [RN]
BrCOCOBr
More...

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

1744437 [DBID]
NSC 96957 [DBID]
[15219-34-8] [DBID] [RN]
113034_ALDRICH [DBID]
323233_ALDRICH [DBID]
75758_FLUKA [DBID]
NSC96957 [DBID]

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

    Density: 2.6±0.1 g/cm3
    Boiling Point: 118.3±0.0 °C at 760 mmHg
    Vapour Pressure: 16.8±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 35.7±3.0 kJ/mol
    Flash Point: 109.8±9.2 °C
    Index of Refraction: 1.567
    Molar Refractivity: 26.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.41
    ACD/LogD (pH 5.5): 1.39
    ACD/BCF (pH 5.5): 6.67
    ACD/KOC (pH 5.5): 135.35
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 6.67
    ACD/KOC (pH 7.4): 135.35
    Polar Surface Area: 34 Å2
    Polarizability: 10.6±0.5 10-24cm3
    Surface Tension: 57.4±3.0 dyne/cm
    Molar Volume: 82.2±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) =  -1.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  213.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  26.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.244  (Modified Grain method)
    Subcooled liquid VP: 0.253 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):  8.959e+005
       log Kow used: -1.63 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  76690 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acid Chloride/Halide

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.23E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.734E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.63  (KowWin est)
  Log Kaw used:  -3.299  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.669
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6448
   Biowin2 (Non-Linear Model)     :   0.4860
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7222  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5363  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0700
   Biowin6 (MITI Non-Linear Model):   0.0240
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  33.7 Pa (0.253 mm Hg)
  Log Koa (Koawin est  ): 1.669
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.89E-008 
       Octanol/air (Koa) model:  1.15E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.21E-006 
       Mackay model           :  7.11E-006 
       Octanol/air (Koa) model:  9.16E-010 

 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): 5.16E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -1.63 (estimated)

 Volatilization from Water:
    Henry LC:  1.23E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      71.43  hours   (2.976 days)
    Half-Life from Model Lake :      902.4  hours   (37.6 days)

 Removal In Wastewater Treatment:
    Total removal:               2.52  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.74  percent
    Total to Air:                0.68  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.52            1e+005       1000       
   Water     52              900          1000       
   Soil      40.4            1.8e+003     1000       
   Sediment  0.0998          8.1e+003     0          
     Persistence Time: 547 hr

    Click to predict properties on the Chemicalize site


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