CAS Number: 138261-41-3
SMILES : c1nc(CL)ccc1CN2C(=NN(=O)(=O))NCC2
CHEM   : Imidacloprid
MOL FOR: C9 H10 CL1 N5 O2 
MOL WT : 255.67
------------------------------ 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) =  0.56
    Log Kow (Exper. database match) =  0.57
       Exper. Ref:  TOMLIN,C (2003)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  378.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  156.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.68E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000225  (Modified Grain method)
    MP  (exp database):  144 deg C
    Subcooled liquid VP: 2.7E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0036 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  7172
       log Kow used: 0.57 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  610 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (2003)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
       Halopyrdines 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.04E-013  atm-m3/mole  (1.05E-008 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.65E-15  atm-m3/mole  (1.67E-010 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:  7.880E-011 atm-m3/mole  (7.985E-006 Pa-m3/mole)
      VP:   1.68E-006 mm Hg (source: MPBPVP)
      WS:   7.17E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.57  (exp database)
  Log Kaw used:  -13.171  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  13.741
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2888
   Biowin2 (Non-Linear Model)     :   0.0137
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2134  (months      )
   Biowin4 (Primary Survey Model) :   3.2948  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0674
   Biowin6 (MITI Non-Linear Model):   0.0080
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5412
 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):  0.0036 Pa (2.7E-005 mm Hg)
  Log Koa (Koawin est  ): 13.741
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000833 
       Octanol/air (Koa) model:  13.5 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0292 
       Mackay model           :  0.0625 
       Octanol/air (Koa) model:  0.999 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 151.6789 E-12 cm3/molecule-sec
      Half-Life =     0.071 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.846 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0459 (Junge-Pankow, Mackay avg)
      0.999 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  969.9  L/kg (MCI method)
      Log Koc:  2.987       (MCI method)
      Koc    :  33.64  L/kg (Kow method)
      Log Koc:  1.527       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8866 days (HL = 0.01298 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.011 (BCF = 1.026)
   Log BAF Arnot-Gobas method (upper trophic) = 0.011 (BAF = 1.026)
       log Kow used: 0.57 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.65E-015 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 5.674E+011  hours   (2.364E+010 days)
    Half-Life from Model Lake :  6.19E+012  hours   (2.579E+011 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       8.25e-009       1.69         1000       
   Water     9.46            1.44e+003    1000       
   Soil      90              2.88e+003    1000       
   Sediment  0.592           1.3e+004     0          
     Persistence Time: 2.8e+003 hr