CAS Num: 000093-16-3
SMILES : O(c(c(OC)cc(c1)C=CC)c1)C
CHEM   : Benzene, 1,2-dimethoxy-4-(1-propenyl)-
MOL FOR: C11 H14 O2 
MOL WT : 178.23
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  254.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00898  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.2  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  18 deg C
    BP  (exp database):  270.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  169.1
       log Kow used: 2.95 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  37.642 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.52E-005  atm-m3/mole  (1.54E+000 Pa-m3/mole)
   Group Method:   1.81E-003  atm-m3/mole  (1.84E+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:  1.245E-005 atm-m3/mole  (1.262E+000 Pa-m3/mole)
      VP:   0.00898 mm Hg (source: MPBPVP)
      WS:   169 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.95  (KowWin est)
  Log Kaw used:  -3.207  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.157
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9265
   Biowin2 (Non-Linear Model)     :   0.9931
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6891  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7448  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6106
   Biowin6 (MITI Non-Linear Model):   0.6228
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5201
 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):  1.23 Pa (0.00921 mm Hg)
  Log Koa (Koawin est  ): 6.157
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.44E-006 
       Octanol/air (Koa) model:  3.52E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.82E-005 
       Mackay model           :  0.000195 
       Octanol/air (Koa) model:  2.82E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  75.6832 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  83.2832 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.696 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.541 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.000142 (Junge-Pankow, Mackay avg)
      2.82E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  340.6  L/kg (MCI method)
      Log Koc:  2.532       (MCI method)
      Koc    :  466.3  L/kg (Kow method)
      Log Koc:  2.669       (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 = 1.615 (BCF = 41.22 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0789 days (HL = 1.199 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.904 (BCF = 80.08)
   Log BAF Arnot-Gobas method (upper trophic) = 1.904 (BAF = 80.09)
       log Kow used: 2.95 (estimated)

 Volatilization from Water:
    Henry LC:  0.00181 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.794  hours
    Half-Life from Model Lake :      131.5  hours   (5.48 days)

 Removal In Wastewater Treatment:
    Total removal:              44.66  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     3.95  percent
    Total to Air:               40.63  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.557           1.84         1000       
   Water     24.7            900          1000       
   Soil      74.3            1.8e+003     1000       
   Sediment  0.471           8.1e+003     0          
     Persistence Time: 348 hr