CAS Number: 60487-81-2
SMILES : O(C(OCC=Cc(cccc1)c1)C(c(cccc2)c2)=C)CC=Cc(cccc3)c3
CHEM   : Benzene, [bis[(3-phenyl-2-propenyl)oxy]methyl]ethenyl-
MOL FOR: C27 H26 O2 
MOL WT : 382.51
------------------------------ 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) =  7.29
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  479.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  185.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.93E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.57E-007  (Modified Grain method)
    Subcooled liquid VP: 9.04E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 1.2E-005 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.002329
       log Kow used: 7.29 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0011836 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.03E-008  atm-m3/mole  (1.04E-003 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.171E-007 atm-m3/mole  (4.226E-002 Pa-m3/mole)
      VP:   1.93E-009 mm Hg (source: MPBPVP)
      WS:   0.00233 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.29  (KowWin est)
  Log Kaw used:  -6.376  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.666
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2550
   Biowin2 (Non-Linear Model)     :   0.0201
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4026  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2911  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2143
   Biowin6 (MITI Non-Linear Model):   0.0025
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0103
 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):  1.21E-005 Pa (9.04E-008 mm Hg)
  Log Koa (Koawin est  ): 13.666
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.249 
       Octanol/air (Koa) model:  11.4 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.9 
       Mackay model           :  0.952 
       Octanol/air (Koa) model:  0.999 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 188.1947 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 203.3947 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.682 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.631 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    27.299999 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    40.949997 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.007 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.672 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.926 (Junge-Pankow, Mackay avg)
      0.999 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.114E+006  L/kg (MCI method)
      Log Koc:  6.325       (MCI method)
      Koc    :  5.973E+004  L/kg (Kow method)
      Log Koc:  4.776       (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 = 3.981 (BCF = 9577 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0296 days (HL = 10.71 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.902 (BCF = 797.4)
   Log BAF Arnot-Gobas method (upper trophic) = 4.658 (BAF = 4.549e+004)
       log Kow used: 7.29 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.03E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.112E+005  hours   (4632 days)
    Half-Life from Model Lake : 1.213E+006  hours   (5.054E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.94  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.16  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       0.00933         0.579        1000       
   Water     2.69            900          1000       
   Soil      31.3            1.8e+003     1000       
   Sediment  66              8.1e+003     0          
     Persistence Time: 2.85e+003 hr