CAS Number: 64190-80-3
SMILES : O=C(OCCCCCCCCCCCCCCCC)C=Cc1cc(OC)c(O)cc1
CHEM   : 
MOL FOR: C26 H42 O4 
MOL WT : 418.62
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  9.07
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  495.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  204.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.11E-011  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.15E-009  (Modified Grain method)
    Subcooled liquid VP: 4.82E-009 mm Hg (25 deg C, Mod-Grain method)
                       : 6.43E-007 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.227e-005
       log Kow used: 9.07 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00017704 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.79E-009  atm-m3/mole  (1.81E-004 Pa-m3/mole)
   Group Method:   1.38E-008  atm-m3/mole  (1.39E-003 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:  7.962E-007 atm-m3/mole  (8.067E-002 Pa-m3/mole)
      VP:   6.11E-011 mm Hg (source: MPBPVP)
      WS:   4.23E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.07  (KowWin est)
  Log Kaw used:  -7.136  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.206
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0786
   Biowin2 (Non-Linear Model)     :   0.9979
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7109  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8586  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8490
   Biowin6 (MITI Non-Linear Model):   0.8315
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7463
 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):  6.43E-007 Pa (4.82E-009 mm Hg)
  Log Koa (Koawin est  ): 16.206
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.67 
       Octanol/air (Koa) model:  3.94E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.994 
       Mackay model           :  0.997 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  69.3366 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  71.9966 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.851 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.783 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.050000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.091 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.996 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.492E+006  L/kg (MCI method)
      Log Koc:  6.174       (MCI method)
      Koc    :  1.256E+006  L/kg (Kow method)
      Log Koc:  6.099       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.283E-003  L/mol-sec
  Kb Half-Life at pH 8:       5.129  years  
  Kb Half-Life at pH 7:      51.285  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.514 (BCF = 326.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3301 days (HL = 2.138 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.653 (BCF = 4.496)
   Log BAF Arnot-Gobas method (upper trophic) = 1.569 (BAF = 37.1)
       log Kow used: 9.07 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.38E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 8.681E+004  hours   (3617 days)
    Half-Life from Model Lake : 9.472E+005  hours   (3.946E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.0944          3.24         1000       
   Water     12.6            900          1000       
   Soil      69.1            1.8e+003     1000       
   Sediment  18.2            8.1e+003     0          
     Persistence Time: 1.39e+003 hr