CAS Number: 111-44-4
SMILES : O(CCCL)CCCL
CHEM   : Ethane, 1,1'-oxybis 2-chloro-
MOL FOR: C4 H8 CL2 O1 
MOL WT : 143.01
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  1.56
    Log Kow (Exper. database match) =  1.29
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  173.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -34.44  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.04  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  138  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -51.9 deg C
    BP  (exp database):  178.5 deg C
    VP  (exp database):  1.55E+00 mm Hg (2.07E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  6435
       log Kow used: 1.29 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.72e+004 mg/L (20 deg C)
        Exper. Ref:  VEITH,GD ET AL. (1980)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9051.4 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Halo Ethers 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.89E-004  atm-m3/mole  (1.91E+001 Pa-m3/mole)
   Group Method:   4.15E-007  atm-m3/mole  (4.21E-002 Pa-m3/mole)
   Exper Database: 1.70E-05  atm-m3/mole  (1.72E+000 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  3.041E-005 atm-m3/mole  (3.081E+000 Pa-m3/mole)
      VP:   1.04 mm Hg (source: MPBPVP)
      WS:   6.44E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.29  (exp database)
  Log Kaw used:  -3.158  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.448
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1093
   Biowin2 (Non-Linear Model)     :   0.0021
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5281  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4304  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4880
   Biowin6 (MITI Non-Linear Model):   0.2192
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6535
 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):  207 Pa (1.55 mm Hg)
  Log Koa (Koawin est  ): 4.448
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.45E-008 
       Octanol/air (Koa) model:  6.89E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.24E-007 
       Mackay model           :  1.16E-006 
       Octanol/air (Koa) model:  5.51E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.1569 E-12 cm3/molecule-sec
      Half-Life =     3.388 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    40.657 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      8.43E-007 (Junge-Pankow, Mackay avg)
      5.51E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  32.21  L/kg (MCI method)
      Log Koc:  1.508       (MCI method)
      Koc    :  35.32  L/kg (Kow method)
      Log Koc:  1.548       (Kow method)
       Experimental Log Koc:  1.88  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.518 (BCF = 3.297 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7123 days (HL = 0.194 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.421 (BCF = 2.639)
   Log BAF Arnot-Gobas method (upper trophic) = 0.421 (BAF = 2.639)
       log Kow used: 1.29 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.7E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      42.41  hours   (1.767 days)
    Half-Life from Model Lake :      562.9  hours   (23.45 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  percent
    Total to Air:                0.94  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.07            81.3         1000       
   Water     32.5            900          1000       
   Soil      64.3            1.8e+003     1000       
   Sediment  0.112           8.1e+003     0          
     Persistence Time: 719 hr