CAS Number: 59303-12-7
SMILES : Cc1nc(ccc1)COC
CHEM   : 2-(methoxymethyl)-6-methylpyridine
MOL FOR: C8 H11 N1 O1 
MOL WT : 137.18
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  1.13
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  200.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.344  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  45.9  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.847e+005
       log Kow used: 1.13 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.0873e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.01E-007  atm-m3/mole  (1.02E-002 Pa-m3/mole)
   Group Method:   1.28E-008  atm-m3/mole  (1.30E-003 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:  3.362E-007 atm-m3/mole  (3.406E-002 Pa-m3/mole)
      VP:   0.344 mm Hg (source: MPBPVP)
      WS:   1.85E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.13  (KowWin est)
  Log Kaw used:  -5.384  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.514
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2350
   Biowin2 (Non-Linear Model)     :   0.0314
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5983  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5528  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2828
   Biowin6 (MITI Non-Linear Model):   0.1917
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4749
 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):  42 Pa (0.315 mm Hg)
  Log Koa (Koawin est  ): 6.514
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.14E-008 
       Octanol/air (Koa) model:  8.02E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.58E-006 
       Mackay model           :  5.71E-006 
       Octanol/air (Koa) model:  6.41E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.0632 E-12 cm3/molecule-sec
      Half-Life =     1.180 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.162 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.15E-006 (Junge-Pankow, Mackay avg)
      6.41E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  86.26  L/kg (MCI method)
      Log Koc:  1.936       (MCI method)
      Koc    :  43.24  L/kg (Kow method)
      Log Koc:  1.636       (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 v3.00):
   Log BCF from regression-based method = 0.415 (BCF = 2.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6672 days (HL = 0.02152 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.182 (BCF = 1.52)
   Log BAF Arnot-Gobas method (upper trophic) = 0.182 (BAF = 1.52)
       log Kow used: 1.13 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.28E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 5.357E+004  hours   (2232 days)
    Half-Life from Model Lake : 5.845E+005  hours   (2.436E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.81  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       0.1             28.3         1000       
   Water     18.7            900          1000       
   Soil      81.1            1.8e+003     1000       
   Sediment  0.113           8.1e+003     0          
     Persistence Time: 1.48e+003 hr