CAS Number: 75-01-4
SMILES : C(=C)CL
CHEM   : Ethene, chloro-
MOL FOR: C2 H3 CL1 
MOL WT : 62.50
------------------------------ 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) =  1.62
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  3.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -122.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.72E+003  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.63E+005  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -153.7 deg C
    BP  (exp database):  -13.3 deg C
    VP  (exp database):  2.98E+03 mm Hg (3.97E+005 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5631
       log Kow used: 1.62 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  8800 mg/L (25 deg C)
        Exper. Ref:  DELASSUS,PT & SCHMIDT,DD (1981)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4120.2 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Halides
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.44E-002  atm-m3/mole  (4.50E+003 Pa-m3/mole)
   Group Method:   5.60E-002  atm-m3/mole  (5.68E+003 Pa-m3/mole)
   Exper Database: 2.78E-02  atm-m3/mole  (2.82E+003 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:  1.110E-002 atm-m3/mole  (1.125E+003 Pa-m3/mole)
      VP:   2.72E+003 mm Hg (source: MPBPVP)
      WS:   5.63E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.62  (KowWin est)
  Log Kaw used:  0.056  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.564
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6064
   Biowin2 (Non-Linear Model)     :   0.5667
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8879  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6570  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5459
   Biowin6 (MITI Non-Linear Model):   0.5418
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6009
 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):  3.97E+005 Pa (2.98E+003 mm Hg)
  Log Koa (Koawin est  ): 1.564
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.55E-012 
       Octanol/air (Koa) model:  8.99E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.73E-010 
       Mackay model           :  6.04E-010 
       Octanol/air (Koa) model:  7.2E-010 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.5230 E-12 cm3/molecule-sec
      Half-Life =     1.937 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    23.240 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.025025 E-17 cm3/molecule-sec
      Half-Life =    45.794 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      4.38E-010 (Junge-Pankow, Mackay avg)
      7.2E-010 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  21.73  L/kg (MCI method)
      Log Koc:  1.337       (MCI method)
      Koc    :  25.44  L/kg (Kow method)
      Log Koc:  1.406       (Kow method)
 
 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 = 0.738 (BCF = 5.471 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5411 days (HL = 0.2877 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.689 (BCF = 4.892)
   Log BAF Arnot-Gobas method (upper trophic) = 0.689 (BAF = 4.892)
       log Kow used: 1.62 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0278 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.8234  hours   (49.40 min)
    Half-Life from Model Lake :      75.27  hours   (3.136 days)
 
 Removal In Wastewater Treatment:
    Total removal:              91.54  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.48  percent
    Total to Air:               91.04  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       29.9            35.7         1000       
   Water     66.6            360          1000       
   Soil      3.29            720          1000       
   Sediment  0.183           3.24e+003    0          
     Persistence Time: 92.8 hr