CAS Number: 84029-92-5
SMILES : CCOCCOc1ccc(cc1OC)C=CC
CHEM   : Benzene, 1-(1-ethoxyethoxy)-2-methoxy-4-(1-propenyl)-
MOL FOR: C14 H20 O3 
MOL WT : 236.31
------------------------------ 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) =  3.17
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  316.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  79.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000242  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0323  (Modified Grain method)
    Subcooled liquid VP: 0.000798 mm Hg (25 deg C, Mod-Grain method)
                       : 0.106 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  55.29
       log Kow used: 3.17 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  22.999 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.13E-007  atm-m3/mole  (3.17E-002 Pa-m3/mole)
   Group Method:   5.23E-006  atm-m3/mole  (5.30E-001 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:  1.361E-006 atm-m3/mole  (1.379E-001 Pa-m3/mole)
      VP:   0.000242 mm Hg (source: MPBPVP)
      WS:   55.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.17  (KowWin est)
  Log Kaw used:  -4.893  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.063
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5515
   Biowin2 (Non-Linear Model)     :   0.6727
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5520  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6513  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5876
   Biowin6 (MITI Non-Linear Model):   0.5015
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3408
 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):  0.106 Pa (0.000798 mm Hg)
  Log Koa (Koawin est  ): 8.063
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.82E-005 
       Octanol/air (Koa) model:  2.84E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00102 
       Mackay model           :  0.00225 
       Octanol/air (Koa) model:  0.00227 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  95.0426 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 102.6426 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.350 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.250 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):
      0.00163 (Junge-Pankow, Mackay avg)
      0.00227 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  505  L/kg (MCI method)
      Log Koc:  2.703       (MCI method)
      Koc    :  500.9  L/kg (Kow method)
      Log Koc:  2.700       (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 = 1.758 (BCF = 57.28 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0459 days (HL = 1.112 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.068 (BCF = 117)
   Log BAF Arnot-Gobas method (upper trophic) = 2.068 (BAF = 117)
       log Kow used: 3.17 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.23E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      173.7  hours   (7.236 days)
    Half-Life from Model Lake :       2023  hours   (84.31 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.69  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.27  percent
    Total to Air:                0.28  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0783          1.62         1000       
   Water     19              900          1000       
   Soil      80.4            1.8e+003     1000       
   Sediment  0.53            8.1e+003     0          
     Persistence Time: 1.01e+003 hr