CAS Number: 52918-63-5
SMILES : CC1(C)C(C=C(Br)Br)C1C(=O)OC(C(#N))c3cccc(Oc2ccccc2)c3
CHEM   : Decamethrin
MOL FOR: C22 H19 Br2 N1 O3 
MOL WT : 505.21
------------------------------ 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) =  6.18
    Log Kow (Exper. database match) =  6.20
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  490.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  139.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.67E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.16E-006  (Modified Grain method)
    MP  (exp database):  100 deg C
    VP  (exp database):  1.50E-08 mm Hg (2.00E-006 Pa) at 25 deg C
    Subcooled liquid VP: 8.28E-008 mm Hg (25 deg C, exp database VP )
                       : 1.1E-005 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.001827
       log Kow used: 6.20 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.002 mg/L (25 deg C)
        Exper. Ref:  WORTHING,CR & WALKER,SB (1987)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.043274 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Halides
       Benzyl Nitriles 
       Nitrile Esters 
       Pyrethroids 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.06E-008  atm-m3/mole  (6.14E-003 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 4.99E-06  atm-m3/mole  (5.06E-001 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:  3.155E-006 atm-m3/mole  (3.196E-001 Pa-m3/mole)
      VP:   8.67E-009 mm Hg (source: MPBPVP)
      WS:   0.00183 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.20  (exp database)
  Log Kaw used:  -3.690  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.890
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9719
   Biowin2 (Non-Linear Model)     :   0.1188
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9502  (months      )
   Biowin4 (Primary Survey Model) :   3.2819  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1770
   Biowin6 (MITI Non-Linear Model):   0.0005
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8085
 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):  1.1E-005 Pa (8.28E-008 mm Hg)
  Log Koa (Koawin est  ): 9.890
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.272 
       Octanol/air (Koa) model:  0.00191 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.908 
       Mackay model           :  0.956 
       Octanol/air (Koa) model:  0.132 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  23.4695 E-12 cm3/molecule-sec
      Half-Life =     0.456 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.469 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.022295 E-17 cm3/molecule-sec
      Half-Life =    51.402 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      0.932 (Junge-Pankow, Mackay avg)
      0.132 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7.975E+004  L/kg (MCI method)
      Log Koc:  4.902       (MCI method)
      Koc    :  5.458E+004  L/kg (Kow method)
      Log Koc:  4.737       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.124E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.587  years  
  Kb Half-Life at pH 7:      35.867  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.499 (BCF = 315.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2643 days (HL = 0.5441 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.994 (BCF = 987.3)
   Log BAF Arnot-Gobas method (upper trophic) = 3.246 (BAF = 1762)
       log Kow used: 6.20 (expkow database)
 
 Volatilization from Water:
    Henry LC:  4.99E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:        266  hours   (11.08 days)
    Half-Life from Model Lake :       3090  hours   (128.8 days)
 
 Removal In Wastewater Treatment:
    Total removal:              92.84  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.07  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       0.119           10.8         1000       
   Water     6.28            1.44e+003    1000       
   Soil      60.3            2.88e+003    1000       
   Sediment  33.3            1.3e+004     0          
     Persistence Time: 2.85e+003 hr