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Search term: 3785-34-0 (Found by approved synonym)
ChemSpider 2D Image | ethylene bromoacetate | C6H8Br2O4

ethylene bromoacetate

  • Molecular FormulaC6H8Br2O4
  • Average mass303.933 Da
  • Monoisotopic mass301.878906 Da
  • ChemSpider ID18480

More details:

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

1,2-Bis(bromoacetoxy)ethane
1,2-Ethandiyl-bis(bromacetat) [German] [ACD/IUPAC Name]
1,2-Ethanediyl bis(bromoacetate) [ACD/IUPAC Name]
223-250-4 [EINECS]
3785-34-0 [RN]
Acetic acid, 2-bromo-, 1,2-ethanediyl ester [ACD/Index Name]
Bis(bromoacétate) de 1,2-éthanediyle [French] [ACD/IUPAC Name]
Ethane-1,2-diyl bis(bromoacetate)
ethylene bromoacetate
[3785-34-0] [RN]
More...

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

8PU1YB2O2T [DBID]
AI3-18935 [DBID]
BRN 1782335 [DBID]
NSC 25854 [DBID]
NSC 406054 [DBID]
NSC25854 [DBID]
NSC406054 [DBID]
S 13 [DBID]
UNII:8PU1YB2O2T [DBID]
UNII-8PU1YB2O2T [DBID]

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 310.7±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.2±3.0 kJ/mol
    Flash Point: 141.7±22.3 °C
    Index of Refraction: 1.519
    Molar Refractivity: 48.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.27
    ACD/LogD (pH 5.5): 1.30
    ACD/BCF (pH 5.5): 5.71
    ACD/KOC (pH 5.5): 121.15
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 5.71
    ACD/KOC (pH 7.4): 121.15
    Polar Surface Area: 53 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 48.5±3.0 dyne/cm
    Molar Volume: 160.9±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) =  1.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  269.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  1.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00935  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1361
       log Kow used: 1.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3960.6 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.36E-009  atm-m3/mole
   Group Method:   5.35E-009  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.747E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.09  (KowWin est)
  Log Kaw used:  -6.522  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.612
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8589
   Biowin2 (Non-Linear Model)     :   0.1156
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8658  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9379  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8866
   Biowin6 (MITI Non-Linear Model):   0.3207
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  2.0019
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.28 Pa (0.00957 mm Hg)
  Log Koa (Koawin est  ): 7.612
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.35E-006 
       Octanol/air (Koa) model:  1E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.49E-005 
       Mackay model           :  0.000188 
       Octanol/air (Koa) model:  0.000803 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.4598 E-12 cm3/molecule-sec
      Half-Life =     4.348 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    52.180 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000136 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10.9
      Log Koc:  1.038 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  4.576E+001  L/mol-sec
  Kb Half-Life at pH 8:       4.207  hours  
  Kb Half-Life at pH 7:       1.753  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.141 (BCF = 1.383)
       log Kow used: 1.09 (estimated)

 Volatilization from Water:
    Henry LC:  5.35E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.908E+005  hours   (7950 days)
    Half-Life from Model Lake : 2.082E+006  hours   (8.673E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.117           104          1000       
   Water     34              360          1000       
   Soil      65.8            720          1000       
   Sediment  0.0694          3.24e+003    0          
     Persistence Time: 607 hr

    Click to predict properties on the Chemicalize site


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