CAS Number: 70630-17-0
SMILES : COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C
CHEM   : Metalaxyl-M
MOL FOR: C15 H21 N1 O4 
MOL WT : 279.34
------------------------------ 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) =  1.70
    Log Kow (Exper. database match) =  1.65
       Exper. Ref:  HANSCH,C ET AL. (1995)
    Log Kow (Exper. database match) =  1.71
       Exper. Ref:  TOMLIN,C (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  377.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  130.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.85E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0038  (Modified Grain method)
    MP  (exp database):  -38.7 deg C
    BP  (exp database):  270 dec deg C
    VP  (exp database):  2.48E-05 mm Hg (3.31E-003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  560
       log Kow used: 1.71 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  8400 mg/L (22 deg C)
        Exper. Ref:  TOMLIN,C (1997)
     Water Sol (Exper. database match) =  2.6e+004 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1997)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9248.3 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.05E-010  atm-m3/mole  (8.15E-005 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 2.95E-09  atm-m3/mole  (2.99E-004 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:  1.871E-008 atm-m3/mole  (1.895E-003 Pa-m3/mole)
      VP:   2.85E-005 mm Hg (source: MPBPVP)
      WS:   560 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.71  (exp database)
  Log Kaw used:  -6.919  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.629
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7609
   Biowin2 (Non-Linear Model)     :   0.9717
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5095  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7323  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4605
   Biowin6 (MITI Non-Linear Model):   0.2787
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2256
 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):  0.00331 Pa (2.48E-005 mm Hg)
  Log Koa (Koawin est  ): 8.629
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000907 
       Octanol/air (Koa) model:  0.000104 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0317 
       Mackay model           :  0.0677 
       Octanol/air (Koa) model:  0.00829 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.8839 E-12 cm3/molecule-sec
      Half-Life =     0.398 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.774 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0497 (Junge-Pankow, Mackay avg)
      0.00829 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  38.57  L/kg (MCI method)
      Log Koc:  1.586       (MCI method)
      Koc    :  46.51  L/kg (Kow method)
      Log Koc:  1.668       (Kow method)
       Experimental Log Koc:  1.57  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.628E-002  L/mol-sec
  Kb Half-Life at pH 8:     173.333  days   
  Kb Half-Life at pH 7:       4.746  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.795 (BCF = 6.241 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9853 days (HL = 0.01034 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.316 (BCF = 2.071)
   Log BAF Arnot-Gobas method (upper trophic) = 0.316 (BAF = 2.071)
       log Kow used: 1.71 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.95E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 3.317E+005  hours   (1.382E+004 days)
    Half-Life from Model Lake : 3.619E+006  hours   (1.508E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.05  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.96  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       0.0272          9.55         1000       
   Water     23.9            900          1000       
   Soil      76              1.8e+003     1000       
   Sediment  0.0896          8.1e+003     0          
     Persistence Time: 1.35e+003 hr