CAS Number: 78-95-5
SMILES : O=C(CCL)C
CHEM   : 2-Propanone, 1-chloro-
MOL FOR: C3 H5 CL1 O1 
MOL WT : 92.53
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  0.02
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  111.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -59.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  16.4  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.18E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -44.5 deg C
    BP  (exp database):  119 deg C
    VP  (exp database):  1.20E+01 mm Hg (1.60E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.182e+005
       log Kow used: 0.02 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  9e+004 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.3386e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Halo Ketones (2 free H)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.75E-005  atm-m3/mole  (1.77E+000 Pa-m3/mole)
   Group Method:   1.20E-005  atm-m3/mole  (1.21E+000 Pa-m3/mole)
   Exper Database: 1.65E-05  atm-m3/mole  (1.67E+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:  1.689E-005 atm-m3/mole  (1.712E+000 Pa-m3/mole)
      VP:   16.4 mm Hg (source: MPBPVP)
      WS:   1.18E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.02  (KowWin est)
  Log Kaw used:  -3.171  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.191
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5989
   Biowin2 (Non-Linear Model)     :   0.3518
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7990  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5914  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6055
   Biowin6 (MITI Non-Linear Model):   0.6219
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3760
 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):  1.6E+003 Pa (12 mm Hg)
  Log Koa (Koawin est  ): 3.191
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.87E-009 
       Octanol/air (Koa) model:  3.81E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.77E-008 
       Mackay model           :  1.5E-007 
       Octanol/air (Koa) model:  3.05E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.3682 E-12 cm3/molecule-sec
      Half-Life =    29.050 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.09E-007 (Junge-Pankow, Mackay avg)
      3.05E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.51  L/kg (MCI method)
      Log Koc:  0.654       (MCI method)
      Koc    :  13.54  L/kg (Kow method)
      Log Koc:  1.132       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3185 days (HL = 0.04803 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.015 (BCF = 0.9662)
   Log BAF Arnot-Gobas method (upper trophic) = -0.015 (BAF = 0.9662)
       log Kow used: 0.02 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.65E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      35.11  hours   (1.463 days)
    Half-Life from Model Lake :      463.7  hours   (19.32 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.75  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.74  percent
    Total to Air:                0.91  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.56            697          1000       
   Water     40.8            360          1000       
   Soil      49.6            720          1000       
   Sediment  0.0823          3.24e+003    0          
     Persistence Time: 368 hr