CAS Number: 52645-53-1
SMILES : CC1(C)C(C=C(CL)CL)C1C(=O)OCc3cccc(Oc2ccccc2)c3
CHEM   : Permethrin
MOL FOR: C21 H20 CL2 O3 
MOL WT : 391.30
------------------------------ 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) =  7.43
    Log Kow (Exper. database match) =  6.50
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  437.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  164.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.26E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00011  (Modified Grain method)
    MP  (exp database):  34 deg C
    BP  (exp database):  220 @ 0.05 mm Hg deg C
    VP  (exp database):  2.18E-08 mm Hg (2.91E-006 Pa) at 25 deg C
    Subcooled liquid VP: 2.68E-008 mm Hg (25 deg C, exp database VP )
                       : 3.57E-006 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.009747
       log Kow used: 6.50 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.006 mg/L (20 deg C)
        Exper. Ref:  USDA PESTICIDE PROPERTIES DATABASE
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0023788 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Halides
       Pyrethroids 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.88E-007  atm-m3/mole  (2.92E-002 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.87E-06  atm-m3/mole  (1.89E-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:  4.363E-005 atm-m3/mole  (4.421E+000 Pa-m3/mole)
      VP:   8.26E-007 mm Hg (source: MPBPVP)
      WS:   0.00975 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.50  (exp database)
  Log Kaw used:  -4.117  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  10.617
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5887
   Biowin2 (Non-Linear Model)     :   0.5375
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8801  (months      )
   Biowin4 (Primary Survey Model) :   3.2395  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2070
   Biowin6 (MITI Non-Linear Model):   0.0060
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0206
 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):  3.57E-006 Pa (2.68E-008 mm Hg)
  Log Koa (Koawin est  ): 10.617
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.84 
       Octanol/air (Koa) model:  0.0102 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.968 
       Mackay model           :  0.985 
       Octanol/air (Koa) model:  0.448 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.8850 E-12 cm3/molecule-sec
      Half-Life =     0.467 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.609 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.023261 E-17 cm3/molecule-sec
      Half-Life =    49.268 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      0.977 (Junge-Pankow, Mackay avg)
      0.448 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.188E+005  L/kg (MCI method)
      Log Koc:  5.075       (MCI method)
      Koc    :  3.242E+004  L/kg (Kow method)
      Log Koc:  4.511       (Kow method)
       Experimental Log Koc:  4.8  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.021E-002  L/mol-sec
  Kb Half-Life at pH 8:     199.518  days   
  Kb Half-Life at pH 7:       5.463  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.697 (BCF = 497.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2669 days (HL = 1.849 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.764 (BCF = 580.9)
   Log BAF Arnot-Gobas method (upper trophic) = 3.024 (BAF = 1057)
       log Kow used: 6.50 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.87E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      621.4  hours   (25.89 days)
    Half-Life from Model Lake :       6944  hours   (289.3 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.43  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.66  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       0.16            11.1         1000       
   Water     5.99            1.44e+003    1000       
   Soil      51.3            2.88e+003    1000       
   Sediment  42.6            1.3e+004     0          
     Persistence Time: 2.79e+003 hr