CAS Number: 1918-02-1
SMILES : Nc1c(CL)c(CL)nc(C(=O)(O))c1CL
CHEM   : Picloram
MOL FOR: C6 H3 CL3 N2 O2 
MOL WT : 241.46
------------------------------ 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) =  1.36
    Log Kow (Exper. database match) =  1.90
       Exper. Ref:  TOMLIN,C (2003)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  373.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  153.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.2E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.27E-005  (Modified Grain method)
    MP  (exp database):  218.5 deg C
    VP  (exp database):  7.21E-11 mm Hg (9.61E-009 Pa) at 20 deg C
    Subcooled liquid VP: 5.91E-009 mm Hg (20 deg C, exp database VP )
                       : 7.88E-007 Pa  (20 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  628.6
       log Kow used: 1.90 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  430 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1994)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19367 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Anilines (Aromatic Amines)-acid
       Halopyrdines -acid
       Pyridine-alpha-Acid -acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.29E-012  atm-m3/mole  (1.30E-007 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 5.33E-14  atm-m3/mole  (5.40E-009 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-010 atm-m3/mole  (1.639E-005 Pa-m3/mole)
      VP:   3.2E-007 mm Hg (source: MPBPVP)
      WS:   629 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.90  (exp database)
  Log Kaw used:  -11.662  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  13.562
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1261
   Biowin2 (Non-Linear Model)     :   0.0005
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7845  (months      )
   Biowin4 (Primary Survey Model) :   2.8840  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1981
   Biowin6 (MITI Non-Linear Model):   0.0128
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2581
 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):  7.88E-007 Pa (5.91E-009 mm Hg)
  Log Koa (Koawin est  ): 13.562
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.81 
       Octanol/air (Koa) model:  8.95 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.993 
       Mackay model           :  0.997 
       Octanol/air (Koa) model:  0.999 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8542 E-12 cm3/molecule-sec
      Half-Life =    12.522 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.995 (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    :  38.77  L/kg (MCI method)
      Log Koc:  1.588       (MCI method)
      Koc    :  32.05  L/kg (Kow method)
      Log Koc:  1.506       (Kow method)
       Experimental Log Koc:  1.3  (database)
 
 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) = -1.6298 days (HL = 0.02345 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.581 (BCF = 3.81)
   Log BAF Arnot-Gobas method (upper trophic) = 0.581 (BAF = 3.81)
       log Kow used: 1.90 (expkow database)
 
 Volatilization from Water:
    Henry LC:  5.33E-014 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.707E+010  hours   (7.112E+008 days)
    Half-Life from Model Lake : 1.862E+011  hours   (7.759E+009 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.16  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.07  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       4.47e-007       300          1000       
   Water     23.7            1.44e+003    1000       
   Soil      76.2            2.88e+003    1000       
   Sediment  0.0909          1.3e+004     0          
     Persistence Time: 1.87e+003 hr