CAS Number: 2921-88-2
SMILES : CCOP(=S)(OCC)Oc1nc(CL)c(CL)cc1CL
CHEM   : Chlorpyrifos
MOL FOR: C9 H11 CL3 N1 O3 P1 S1 
MOL WT : 350.59
------------------------------ 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) =  5.11
    Log Kow (Exper. database match) =  4.96
       Exper. Ref:  SANGSTER (1994)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  377.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  82.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.05E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00273  (Modified Grain method)
    MP  (exp database):  42 deg C
    VP  (exp database):  2.03E-05 mm Hg (2.71E-003 Pa) at 25 deg C
    Subcooled liquid VP: 2.99E-005 mm Hg (25 deg C, exp database VP )
                       : 0.00399 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.357
       log Kow used: 4.96 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.12 mg/L (24 deg C)
        Exper. Ref:  YALKOWSKY,SH & HE,Y (2003)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.011 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Nearest analog analysis: pesticides
       Esters, Monothiophosphates
       Halopyrdines 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.52E-006  atm-m3/mole  (2.56E-001 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 2.93E-06  atm-m3/mole  (2.97E-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:  2.649E-005 atm-m3/mole  (2.684E+000 Pa-m3/mole)
      VP:   2.05E-005 mm Hg (source: MPBPVP)
      WS:   0.357 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.96  (exp database)
  Log Kaw used:  -3.922  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.882
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1928
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7442  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.2925  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0832
   Biowin6 (MITI Non-Linear Model):   0.0014
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5947
 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):  0.00399 Pa (2.99E-005 mm Hg)
  Log Koa (Koawin est  ): 8.882
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000753 
       Octanol/air (Koa) model:  0.000187 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0265 
       Mackay model           :  0.0568 
       Octanol/air (Koa) model:  0.0147 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  91.6678 E-12 cm3/molecule-sec
      Half-Life =     0.117 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.400 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0416 (Junge-Pankow, Mackay avg)
      0.0147 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7283  L/kg (MCI method)
      Log Koc:  3.862       (MCI method)
      Koc    :  7901  L/kg (Kow method)
      Log Koc:  3.898       (Kow method)
       Experimental Log Koc:  3.7  (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 = 2.940 (BCF = 870.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3225 days (HL = 2.101 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.269 (BCF = 1859)
   Log BAF Arnot-Gobas method (upper trophic) = 3.327 (BAF = 2122)
       log Kow used: 4.96 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.93E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      376.1  hours   (15.67 days)
    Half-Life from Model Lake :       4259  hours   (177.5 days)
 
 Removal In Wastewater Treatment:
    Total removal:              76.41  percent
    Total biodegradation:        0.67  percent
    Total sludge adsorption:    75.71  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0288          2.8          1000       
   Water     6.08            4.32e+003    1000       
   Soil      88.9            8.64e+003    1000       
   Sediment  4.96            3.89e+004    0          
     Persistence Time: 4.59e+003 hr