CAS Number: 94-86-0
SMILES : O(c(c(O)cc(c1)C=CC)c1)CC
CHEM   : Phenol, 2-ethoxy-5-(1-propenyl)-
MOL FOR: C11 H14 O2 
MOL WT : 178.23
------------------------------ 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) =  3.14
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  286.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  71.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000359  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0479  (Modified Grain method)
    MP  (exp database):  87 deg C
    Subcooled liquid VP: 0.00142 mm Hg (25 deg C, Mod-Grain method)
                       : 0.189 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  116.2
       log Kow used: 3.14 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  660.32 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.54E-008  atm-m3/mole  (3.59E-003 Pa-m3/mole)
   Group Method:   3.70E-007  atm-m3/mole  (3.75E-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:  7.245E-007 atm-m3/mole  (7.341E-002 Pa-m3/mole)
      VP:   0.000359 mm Hg (source: MPBPVP)
      WS:   116 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.14  (KowWin est)
  Log Kaw used:  -5.839  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.979
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9104
   Biowin2 (Non-Linear Model)     :   0.9743
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8036  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7074  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5286
   Biowin6 (MITI Non-Linear Model):   0.5193
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5283
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.189 Pa (0.00142 mm Hg)
  Log Koa (Koawin est  ): 8.979
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.58E-005 
       Octanol/air (Koa) model:  0.000234 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000572 
       Mackay model           :  0.00127 
       Octanol/air (Koa) model:  0.0184 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  89.9526 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  97.5526 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.427 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.316 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]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000919 (Junge-Pankow, Mackay avg)
      0.0184 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1244  L/kg (MCI method)
      Log Koc:  3.095       (MCI method)
      Koc    :  766.8  L/kg (Kow method)
      Log Koc:  2.885       (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 = 1.741 (BCF = 55.07 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4867 days (HL = 0.3261 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.846 (BCF = 70.16)
   Log BAF Arnot-Gobas method (upper trophic) = 1.846 (BAF = 70.16)
       log Kow used: 3.14 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.7E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2114  hours   (88.08 days)
    Half-Life from Model Lake : 2.317E+004  hours   (965.5 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.09  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.94  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.165           1.67         1000       
   Water     24.5            360          1000       
   Soil      74.3            720          1000       
   Sediment  1.05            3.24e+003    0          
     Persistence Time: 468 hr