CAS Number: 4917-90-2
SMILES : c(cc(c1)C(C)CC)c(c1)OC
CHEM   : BENZENE, 1-METHOXY-4-(1-METHYLPROPYL)-
MOL FOR: C11 H16 O1 
MOL WT : 164.25
------------------------------ 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) =  4.02
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  219.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  0.48  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.138  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  18.4  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  24.09
       log Kow used: 4.02 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16.217 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.23E-004  atm-m3/mole  (8.34E+001 Pa-m3/mole)
   Group Method:   1.41E-002  atm-m3/mole  (1.43E+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:  1.238E-003 atm-m3/mole  (1.254E+002 Pa-m3/mole)
      VP:   0.138 mm Hg (source: MPBPVP)
      WS:   24.1 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.02  (KowWin est)
  Log Kaw used:  -1.473  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.493
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8559
   Biowin2 (Non-Linear Model)     :   0.9707
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7032  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6194  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4925
   Biowin6 (MITI Non-Linear Model):   0.5836
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3383
 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):  17.1 Pa (0.128 mm Hg)
  Log Koa (Koawin est  ): 5.493
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.76E-007 
       Octanol/air (Koa) model:  7.64E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.35E-006 
       Mackay model           :  1.41E-005 
       Octanol/air (Koa) model:  6.11E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.5765 E-12 cm3/molecule-sec
      Half-Life =     0.350 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.198 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.02E-005 (Junge-Pankow, Mackay avg)
      6.11E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  852.9  L/kg (MCI method)
      Log Koc:  2.931       (MCI method)
      Koc    :  1602  L/kg (Kow method)
      Log Koc:  3.205       (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 = 2.320 (BCF = 209 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3206 days (HL = 2.092 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.688 (BCF = 487.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.689 (BAF = 489)
       log Kow used: 4.02 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0141 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.361  hours
    Half-Life from Model Lake :      122.3  hours   (5.096 days)
 
 Removal In Wastewater Treatment:
    Total removal:              87.17  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:    20.09  percent
    Total to Air:               66.97  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.48            8.4          1000       
   Water     40.1            900          1000       
   Soil      53.6            1.8e+003     1000       
   Sediment  1.89            8.1e+003     0          
     Persistence Time: 198 hr