CAS Number: 133-06-2
SMILES : O=C(N(SC(CL)(CL)CL)C(=O)C1CC=CC2)C12
CHEM   : 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)
         thio]-
MOL FOR: C9 H8 CL3 N1 O2 S1 
MOL WT : 300.59
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.74
    Log Kow (Exper. database match) =  2.80
       Exper. Ref:  TOMLIN,C (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  437.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  183.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.56E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.41E-006  (Modified Grain method)
    MP  (exp database):  178 deg C
    VP  (exp database):  9.00E-08 mm Hg (1.20E-005 Pa) at 25 deg C
    Subcooled liquid VP: 2.93E-006 mm Hg (25 deg C, exp database VP )
                       : 0.000391 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  49.49
       log Kow used: 2.80 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5.1 mg/L (25 deg C)
        Exper. Ref:  WAUCHOPE,RD ET AL. (1991A)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  700.03 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Imides
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.59E-009  atm-m3/mole  (4.65E-004 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 7.00E-09  atm-m3/mole  (7.09E-004 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:  2.046E-010 atm-m3/mole  (2.073E-005 Pa-m3/mole)
      VP:   2.56E-008 mm Hg (source: MPBPVP)
      WS:   49.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.80  (exp database)
  Log Kaw used:  -6.543  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.343
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0863
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8032  (months      )
   Biowin4 (Primary Survey Model) :   2.9588  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0345
   Biowin6 (MITI Non-Linear Model):   0.0006
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1497
 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):  0.000391 Pa (2.93E-006 mm Hg)
  Log Koa (Koawin est  ): 9.343
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00768 
       Octanol/air (Koa) model:  0.000541 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.217 
       Mackay model           :  0.381 
       Octanol/air (Koa) model:  0.0415 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  87.6191 E-12 cm3/molecule-sec
      Half-Life =     0.122 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.465 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec
      Half-Life =     0.057 Days (at 7E11 mol/cm3)
      Half-Life =      1.375 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.299 (Junge-Pankow, Mackay avg)
      0.0415 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  252.2  L/kg (MCI method)
      Log Koc:  2.402       (MCI method)
      Koc    :  292.6  L/kg (Kow method)
      Log Koc:  2.466       (Kow method)
       Experimental Log Koc:  2.3  (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 = 1.514 (BCF = 32.69 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3996 days (HL = 2.51 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.804 (BCF = 63.67)
   Log BAF Arnot-Gobas method (upper trophic) = 1.804 (BAF = 63.69)
       log Kow used: 2.80 (expkow database)
 
 Volatilization from Water:
    Henry LC:  7E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:  1.45E+005  hours   (6042 days)
    Half-Life from Model Lake : 1.582E+006  hours   (6.592E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.31  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.20  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0211          0.936        1000       
   Water     15.9            1.44e+003    1000       
   Soil      83.8            2.88e+003    1000       
   Sediment  0.246           1.3e+004     0          
     Persistence Time: 1.68e+003 hr