CAS Number: 70955-71-4
SMILES : Oc3ccc(cc3OC)C(C2)C1C(C)(C)C2CC1
CHEM   : Phenol, 2-methoxy-, reaction products with 2,2-dimethyl-3-methylenebi
         cyclo[2.2.1]heptane, hydrogenated
MOL FOR: C16 H22 O2 
MOL WT : 246.35
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.92
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  341.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  118.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.87E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000916  (Modified Grain method)
    Subcooled liquid VP: 5.83E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00777 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.572
       log Kow used: 4.92 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.6215 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.86E-008  atm-m3/mole  (6.95E-003 Pa-m3/mole)
   Group Method:   2.23E-007  atm-m3/mole  (2.26E-002 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:  1.417E-006 atm-m3/mole  (1.435E-001 Pa-m3/mole)
      VP:   6.87E-006 mm Hg (source: MPBPVP)
      WS:   1.57 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.92  (KowWin est)
  Log Kaw used:  -5.552  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.472
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7487
   Biowin2 (Non-Linear Model)     :   0.8207
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3661  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3872  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4065
   Biowin6 (MITI Non-Linear Model):   0.2237
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1269
 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):  0.00777 Pa (5.83E-005 mm Hg)
  Log Koa (Koawin est  ): 10.472
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000386 
       Octanol/air (Koa) model:  0.00728 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0137 
       Mackay model           :  0.03 
       Octanol/air (Koa) model:  0.368 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  43.9751 E-12 cm3/molecule-sec
      Half-Life =     0.243 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.919 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0218 (Junge-Pankow, Mackay avg)
      0.368 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.879E+004  L/kg (MCI method)
      Log Koc:  4.274       (MCI method)
      Koc    :  7401  L/kg (Kow method)
      Log Koc:  3.869       (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 = 2.910 (BCF = 813 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2848 days (HL = 1.927 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.860 (BCF = 724.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.867 (BAF = 735.6)
       log Kow used: 4.92 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.23E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       4122  hours   (171.8 days)
    Half-Life from Model Lake :  4.51E+004  hours   (1879 days)
 
 Removal In Wastewater Treatment:
    Total removal:              75.01  percent
    Total biodegradation:        0.66  percent
    Total sludge adsorption:    74.35  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       0.181           5.84         1000       
   Water     13.7            900          1000       
   Soil      71.3            1.8e+003     1000       
   Sediment  14.8            8.1e+003     0          
     Persistence Time: 1.31e+003 hr