CAS Number: 80844-07-1
SMILES : c1cc(OCC)ccc1C(C)(C)COCc2cc(Oc3ccccc3)ccc2
CHEM   : Etofenprox
MOL FOR: C25 H28 O3 
MOL WT : 376.50
------------------------------ 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) =  7.47
    Log Kow (Exper. database match) =  7.05
       Exper. Ref:  TOMLIN,C (1994)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  460.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  178.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.09E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.79E-005  (Modified Grain method)
    MP  (exp database):  37 deg C
    BP  (exp database):  200 @ 0.18 mm Hg deg C
    Subcooled liquid VP: 2.68E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 3.57E-005 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.004075
       log Kow used: 7.05 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.001 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1997); < 1ug/L
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0024968 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.26E-008  atm-m3/mole  (2.29E-003 Pa-m3/mole)
   Group Method:   1.38E-008  atm-m3/mole  (1.39E-003 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:  2.541E-005 atm-m3/mole  (2.574E+000 Pa-m3/mole)
      VP:   2.09E-007 mm Hg (source: MPBPVP)
      WS:   0.00407 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.05  (exp database)
  Log Kaw used:  -6.034  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.084
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4289
   Biowin2 (Non-Linear Model)     :   0.2325
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0521  (months      )
   Biowin4 (Primary Survey Model) :   3.3005  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2028
   Biowin6 (MITI Non-Linear Model):   0.0451
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6158
 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-005 Pa (2.68E-007 mm Hg)
  Log Koa (Koawin est  ): 13.084
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.084 
       Octanol/air (Koa) model:  2.98 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.752 
       Mackay model           :  0.87 
       Octanol/air (Koa) model:  0.996 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  62.1576 E-12 cm3/molecule-sec
      Half-Life =     0.172 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.065 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.811 (Junge-Pankow, Mackay avg)
      0.996 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.763E+005  L/kg (MCI method)
      Log Koc:  5.441       (MCI method)
      Koc    :  7.013E+004  L/kg (Kow method)
      Log Koc:  4.846       (Kow method)
 
 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 = 4.099 (BCF = 1.257e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2275 days (HL = 16.88 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.251 (BCF = 1783)
   Log BAF Arnot-Gobas method (upper trophic) = 5.138 (BAF = 1.374e+005)
       log Kow used: 7.05 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.38E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 8.232E+004  hours   (3430 days)
    Half-Life from Model Lake : 8.982E+005  hours   (3.743E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.87  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.09  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       0.0255          4.13         1000       
   Water     3.96            1.44e+003    1000       
   Soil      51.7            2.88e+003    1000       
   Sediment  44.3            1.3e+004     0          
     Persistence Time: 3.83e+003 hr