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Search term: InChI=1S/C2H4ClO2/c3-1-2-5-4/h1-2H2 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2-Chloroethyl)dioxidanyl | C2H4ClO2

(2-Chloroethyl)dioxidanyl

  • Molecular FormulaC2H4ClO2
  • Average mass95.505 Da
  • Monoisotopic mass94.989983 Da
  • ChemSpider ID164689

More details:

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

(2-Chlorethyl)dioxidanyl [German] [ACD/IUPAC Name]
(2-Chloroethyl)dioxidanyl [ACD/IUPAC Name]
(2-Chloroéthyl)dioxydanyl [French] [ACD/IUPAC Name]
Ethyldioxy, 2-chloro- [ACD/Index Name]
118449-53-9 [RN]

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

No predicted properties have been calculated for this compound.

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  138.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -27.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.76  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.361e+004
       log Kow used: 0.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7457.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.19E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.350E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.32  (KowWin est)
  Log Kaw used:  -3.885  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.205
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5902
   Biowin2 (Non-Linear Model)     :   0.4466
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8127  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6079  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5249
   Biowin6 (MITI Non-Linear Model):   0.4898
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8734
 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):  829 Pa (6.22 mm Hg)
  Log Koa (Koawin est  ): 4.205
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.62E-009 
       Octanol/air (Koa) model:  3.94E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.31E-007 
       Mackay model           :  2.89E-007 
       Octanol/air (Koa) model:  3.15E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.7728 E-12 cm3/molecule-sec
      Half-Life =     2.241 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.892 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.1E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  80.77
      Log Koc:  1.907 

 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: 0.32 (estimated)

 Volatilization from Water:
    Henry LC:  3.19E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      181.3  hours   (7.555 days)
    Half-Life from Model Lake :       2060  hours   (85.85 days)

 Removal In Wastewater Treatment:
    Total removal:               2.03  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.18  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.31            53.8         1000       
   Water     45.6            360          1000       
   Soil      50              720          1000       
   Sediment  0.0851          3.24e+003    0          
     Persistence Time: 357 hr

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