CAS Number: 2303-17-5
SMILES : CC(C)N(C(C)C)C(=O)SCC(CL)=C(CL)CL
CHEM   : Triallate
MOL FOR: C10 H16 CL3 N1 O1 S1 
MOL WT : 304.66
------------------------------ 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) =  4.57
    Log Kow (Exper. database match) =  4.60
       Exper. Ref:  TOMLIN,C (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  342.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  95.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000181  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0241  (Modified Grain method)
    MP  (exp database):  29 deg C
    BP  (exp database):  117 @ 0.4 mm Hg deg C
    VP  (exp database):  1.20E-04 mm Hg (1.60E-002 Pa) at 25 deg C
    Subcooled liquid VP: 0.000131 mm Hg (25 deg C, exp database VP )
                       : 0.0175 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.36
       log Kow used: 4.60 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1997)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10.392 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Halides
       Thiocarbamates, Mono 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.66E-006  atm-m3/mole  (5.74E-001 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.20E-05  atm-m3/mole  (1.22E+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:  5.335E-005 atm-m3/mole  (5.406E+000 Pa-m3/mole)
      VP:   0.000181 mm Hg (source: MPBPVP)
      WS:   1.36 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.60  (exp database)
  Log Kaw used:  -3.309  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.909
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3479
   Biowin2 (Non-Linear Model)     :   0.0028
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9597  (months      )
   Biowin4 (Primary Survey Model) :   3.3000  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2847
   Biowin6 (MITI Non-Linear Model):   0.0006
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1681
 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):  0.0175 Pa (0.000131 mm Hg)
  Log Koa (Koawin est  ): 7.909
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000172 
       Octanol/air (Koa) model:  1.99E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00617 
       Mackay model           :  0.0136 
       Octanol/air (Koa) model:  0.00159 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.3252 E-12 cm3/molecule-sec
      Half-Life =     0.321 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.851 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003326 E-17 cm3/molecule-sec
      Half-Life =   344.528 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      0.00986 (Junge-Pankow, Mackay avg)
      0.00159 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1008  L/kg (MCI method)
      Log Koc:  3.003       (MCI method)
      Koc    :  2205  L/kg (Kow method)
      Log Koc:  3.343       (Kow method)
       Experimental Log Koc:  3.35  (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 = 2.702 (BCF = 503.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0233 days (HL = 1.055 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.602 (BCF = 399.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.603 (BAF = 400.7)
       log Kow used: 4.60 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.2E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      86.94  hours   (3.623 days)
    Half-Life from Model Lake :       1095  hours   (45.62 days)
 
 Removal In Wastewater Treatment:
    Total removal:              61.31  percent
    Total biodegradation:        0.56  percent
    Total sludge adsorption:    60.52  percent
    Total to Air:                0.24  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.234           7.7          1000       
   Water     14.1            1.44e+003    1000       
   Soil      84.8            2.88e+003    1000       
   Sediment  0.918           1.3e+004     0          
     Persistence Time: 1.55e+003 hr