CAS Num: 000090-17-5
SMILES : O=C(OC(c(cccc1)c1)C(CL)(CL)CL)C
CHEM   : Benzenemethanol, .alpha.-(trichloromethyl)-, acetate
MOL FOR: C10 H9 CL3 O2 
MOL WT : 267.54
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.85

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  287.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  64.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000976  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.13  (Modified Grain method)
    MP  (exp database):  86-89 deg C
    Subcooled liquid VP: 0.00375 mm Hg (25 deg C, Mod-Grain method)
                       : 0.5 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.645
       log Kow used: 3.85 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18.623 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.21E-007  atm-m3/mole  (8.32E-002 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  3.562E-005 atm-m3/mole  (3.609E+000 Pa-m3/mole)
      VP:   0.000976 mm Hg (source: MPBPVP)
      WS:   9.64 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.85  (KowWin est)
  Log Kaw used:  -4.474  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.324
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4043
   Biowin2 (Non-Linear Model)     :   0.1003
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0385  (months      )
   Biowin4 (Primary Survey Model) :   3.2403  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3626
   Biowin6 (MITI Non-Linear Model):   0.0327
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3243
 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):  0.5 Pa (0.00375 mm Hg)
  Log Koa (Koawin est  ): 8.324
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6E-006 
       Octanol/air (Koa) model:  5.18E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000217 
       Mackay model           :  0.00048 
       Octanol/air (Koa) model:  0.00412 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.8823 E-12 cm3/molecule-sec
      Half-Life =     2.191 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.289 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000348 (Junge-Pankow, Mackay avg)
      0.00412 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  803.3  L/kg (MCI method)
      Log Koc:  2.905       (MCI method)
      Koc    :  975.1  L/kg (Kow method)
      Log Koc:  2.989       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.163E-002  L/mol-sec
  Kb Half-Life at pH 8:     130.161  days   
  Kb Half-Life at pH 7:       3.564  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.210 (BCF = 162.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9321 days (HL = 0.1169 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.673 (BCF = 47.11)
   Log BAF Arnot-Gobas method (upper trophic) = 1.673 (BAF = 47.11)
       log Kow used: 3.85 (estimated)

 Volatilization from Water:
    Henry LC:  8.21E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1168  hours   (48.67 days)
    Half-Life from Model Lake : 1.288E+004  hours   (536.7 days)

 Removal In Wastewater Treatment:
    Total removal:              23.75  percent
    Total biodegradation:        0.27  percent
    Total sludge adsorption:    23.44  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.734           52.6         1000       
   Water     14.1            1.44e+003    1000       
   Soil      84.4            2.88e+003    1000       
   Sediment  0.721           1.3e+004     0          
     Persistence Time: 1.71e+003 hr