CAS Number: 5598-13-0
SMILES : COP(=S)(OC)Oc1nc(CL)c(CL)cc1CL
CHEM   : Chlorpyrifos Methyl
MOL FOR: C7 H7 CL3 N1 O3 P1 S1 
MOL WT : 322.53
------------------------------ 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) =  4.13
    Log Kow (Exper. database match) =  4.31
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  354.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  84.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.19E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00959  (Modified Grain method)
    MP  (exp database):  43 deg C
    VP  (exp database):  4.20E-05 mm Hg (5.60E-003 Pa) at 25 deg C
    Subcooled liquid VP: 6.33E-005 mm Hg (25 deg C, exp database VP )
                       : 0.00844 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.887
       log Kow used: 4.31 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4.76 mg/L (20 deg C)
        Exper. Ref:  CHIOU,CT ET AL. (1977)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  120.13 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters, Monothiophosphates
       Halopyrdines 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.43E-006  atm-m3/mole  (1.45E-001 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 3.75E-06  atm-m3/mole  (3.80E-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:  1.617E-005 atm-m3/mole  (1.638E+000 Pa-m3/mole)
      VP:   7.19E-005 mm Hg (source: MPBPVP)
      WS:   1.89 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.31  (exp database)
  Log Kaw used:  -3.814  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.124
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2061
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8062  (months      )
   Biowin4 (Primary Survey Model) :   3.3330  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0986
   Biowin6 (MITI Non-Linear Model):   0.0013
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5428
 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):  0.00844 Pa (6.33E-005 mm Hg)
  Log Koa (Koawin est  ): 8.124
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000355 
       Octanol/air (Koa) model:  3.27E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0127 
       Mackay model           :  0.0276 
       Octanol/air (Koa) model:  0.00261 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  58.6153 E-12 cm3/molecule-sec
      Half-Life =     0.182 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.190 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0202 (Junge-Pankow, Mackay avg)
      0.00261 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2193  L/kg (MCI method)
      Log Koc:  3.341       (MCI method)
      Koc    :  3452  L/kg (Kow method)
      Log Koc:  3.538       (Kow method)
       Experimental Log Koc:  3.52  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Phosphorus esters hydrolysis rates available (see Full Output)
 
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.511 (BCF = 324.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1463 days (HL = 1.401 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.663 (BCF = 460.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.664 (BAF = 461.8)
       log Kow used: 4.31 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.75E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      282.2  hours   (11.76 days)
    Half-Life from Model Lake :       3229  hours   (134.6 days)
 
 Removal In Wastewater Treatment:
    Total removal:              45.89  percent
    Total biodegradation:        0.44  percent
    Total sludge adsorption:    45.33  percent
    Total to Air:                0.11  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.125           4.38         1000       
   Water     13.8            1.44e+003    1000       
   Soil      84              2.88e+003    1000       
   Sediment  2.11            1.3e+004     0          
     Persistence Time: 1.62e+003 hr