CAS Number: 106-89-8
SMILES : O(C1CCL)C1
CHEM   : Oxirane, (chloromethyl)-
MOL FOR: C3 H5 CL1 O1 
MOL WT : 92.53
------------------------------ 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) =  0.63
    Log Kow (Exper. database match) =  0.45
       Exper. Ref:  DENEER,JW ET AL. (1988)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  99.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -65.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  17.9  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.38E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -26 deg C
    BP  (exp database):  117 deg C
    VP  (exp database):  1.64E+01 mm Hg (2.19E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.063e+004
       log Kow used: 0.45 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6.59e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  64047 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Halo Epoxides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.62E-005  atm-m3/mole  (5.70E+000 Pa-m3/mole)
   Group Method:   2.62E-006  atm-m3/mole  (2.66E-001 Pa-m3/mole)
   Exper Database: 3.04E-05  atm-m3/mole  (3.08E+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:  4.304E-005 atm-m3/mole  (4.361E+000 Pa-m3/mole)
      VP:   17.9 mm Hg (source: MPBPVP)
      WS:   5.06E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.45  (exp database)
  Log Kaw used:  -2.906  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.356
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2447
   Biowin2 (Non-Linear Model)     :   0.0269
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8129  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6039  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5210
   Biowin6 (MITI Non-Linear Model):   0.4121
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5096
 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):  2.19E+003 Pa (16.4 mm Hg)
  Log Koa (Koawin est  ): 3.356
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.37E-009 
       Octanol/air (Koa) model:  5.57E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.96E-008 
       Mackay model           :  1.1E-007 
       Octanol/air (Koa) model:  4.46E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.5643 E-12 cm3/molecule-sec
      Half-Life =    18.953 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.97E-008 (Junge-Pankow, Mackay avg)
      4.46E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9.907  L/kg (MCI method)
      Log Koc:  0.996       (MCI method)
      Koc    :  12.12  L/kg (Kow method)
      Log Koc:  1.083       (Kow method)
       Experimental Log Koc:  1  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  6.321E-004  L/mol-sec
  Ka Half-Life at pH 7:     347.450  years  
    (Total Ka applies to epoxide(s) only)
 
 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) = -1.1655 days (HL = 0.06832 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.046 (BCF = 1.112)
   Log BAF Arnot-Gobas method (upper trophic) = 0.046 (BAF = 1.112)
       log Kow used: 0.45 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.04E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      19.51  hours
    Half-Life from Model Lake :      293.5  hours   (12.23 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.47  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.74  percent
    Total to Air:                1.64  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10.1            583          1000       
   Water     37.4            360          1000       
   Soil      52.5            720          1000       
   Sediment  0.0841          3.24e+003    0          
     Persistence Time: 367 hr