CAS Number: 87820-88-0
SMILES : Cc1cc(C)cc(C)c1C2CC(=O)C(C(CC)=NOCC)=C(O)C2
CHEM   : Tralkoxydim
MOL FOR: C20 H27 N1 O3 
MOL WT : 329.44
------------------------------ 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) =  4.87
    Log Kow (Exper. database match) =  4.46
       Exper. Ref:  CHAMBERLAIN,K ET AL. (1996)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  464.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  180.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.71E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.95E-008  (Modified Grain method)
    MP  (exp database):  106 deg C
    VP  (exp database):  2.78E-09 mm Hg (3.71E-007 Pa) at 20 deg C
    Subcooled liquid VP: 1.76E-008 mm Hg (20 deg C, exp database VP )
                       : 2.34E-006 Pa  (20 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.278
       log Kow used: 4.46 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (1997); pH 5
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0018666 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aliphatic Amines
       Vinyl/Allyl Ketones
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.32E-011  atm-m3/mole  (5.39E-006 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 2.41E-10  atm-m3/mole  (2.44E-005 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:  1.258E-010 atm-m3/mole  (1.275E-005 Pa-m3/mole)
      VP:   3.71E-010 mm Hg (source: MPBPVP)
      WS:   1.28 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.46  (exp database)
  Log Kaw used:  -8.006  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  12.466
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9749
   Biowin2 (Non-Linear Model)     :   0.7865
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3092  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2055  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2811
   Biowin6 (MITI Non-Linear Model):   0.0869
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1578
 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):  2.35E-006 Pa (1.76E-008 mm Hg)
  Log Koa (Koawin est  ): 12.466
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.28 
       Octanol/air (Koa) model:  0.718 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.979 
       Mackay model           :  0.99 
       Octanol/air (Koa) model:  0.983 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 154.2626 E-12 cm3/molecule-sec
      Half-Life =     0.069 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.832 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.985 (Junge-Pankow, Mackay avg)
      0.983 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.222E+004  L/kg (MCI method)
      Log Koc:  4.087       (MCI method)
      Koc    :  1500  L/kg (Kow method)
      Log Koc:  3.176       (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 = 2.610 (BCF = 407.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4288 days (HL = 0.3726 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.177 (BCF = 150.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.177 (BAF = 150.4)
       log Kow used: 4.46 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.41E-010 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 4.409E+006  hours   (1.837E+005 days)
    Half-Life from Model Lake :  4.81E+007  hours   (2.004E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              53.91  percent
    Total biodegradation:        0.51  percent
    Total sludge adsorption:    53.40  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       0.0381          1.56         1000       
   Water     13.3            900          1000       
   Soil      77.2            1.8e+003     1000       
   Sediment  9.44            8.1e+003     0          
     Persistence Time: 1.4e+003 hr