CAS Number: 129350-09-0
SMILES : CC(=CCCC(=CCOc1c(cc(cc1)C=CCO)OC)C)C
CHEM   : (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-e
         n-1-ol
MOL FOR: C20 H28 O3 
MOL WT : 316.44
------------------------------ EPI SUMMARY (v4.00) --------------------------
    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 v1.67 estimate) =  5.59
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  420.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  143.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.81E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.74E-007  (Modified Grain method)
    Subcooled liquid VP: 4.48E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 5.98E-006 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.5355
       log Kow used: 5.59 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.75825 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ethers
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.65E-009  atm-m3/mole  (7.75E-004 Pa-m3/mole)
   Group Method:   1.77E-007  atm-m3/mole  (1.80E-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:  2.185E-009 atm-m3/mole  (2.214E-004 Pa-m3/mole)
      VP:   2.81E-009 mm Hg (source: MPBPVP)
      WS:   0.535 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.59  (KowWin est)
  Log Kaw used:  -6.505  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.095
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0194
   Biowin2 (Non-Linear Model)     :   0.9842
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5436  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6749  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5710
   Biowin6 (MITI Non-Linear Model):   0.3340
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5302
 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):  5.97E-006 Pa (4.48E-008 mm Hg)
  Log Koa (Koawin est  ): 12.095
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.502 
       Octanol/air (Koa) model:  0.305 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.948 
       Mackay model           :  0.976 
       Octanol/air (Koa) model:  0.961 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 260.3297 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 267.9296 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   29.582 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   28.743 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    92.824997 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    99.650002 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    17.778 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    16.560 Min (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.962 (Junge-Pankow, Mackay avg)
      0.961 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4902  L/kg (MCI method)
      Log Koc:  3.690       (MCI method)
      Koc    :  5218  L/kg (Kow method)
      Log Koc:  3.717       (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 = 3.100 (BCF = 1258 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0131 days (HL = 10.31 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.516 (BCF = 3281)
   Log BAF Arnot-Gobas method (upper trophic) = 3.922 (BAF = 8355)
       log Kow used: 5.59 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.77E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       5886  hours   (245.2 days)
    Half-Life from Model Lake : 6.436E+004  hours   (2682 days)
 
 Removal In Wastewater Treatment:
    Total removal:              89.31  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    88.56  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       0.00981         0.228        1000       
   Water     16.9            900          1000       
   Soil      78.5            1.8e+003     1000       
   Sediment  4.68            8.1e+003     0          
     Persistence Time: 1.11e+003 hr