CAS Number: 128530-04-1
SMILES : CC(=CCCC(=CCOC(=O)C(=CC(=O)O)C)C)CCC=C(C)CCC=C(C)CO
CHEM   : 
MOL FOR: C25 H38 O5 
MOL WT : 418.58
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  8.71
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  534.94  (Adapted Stein & Brown method)
    Melting Pt (deg C):  212.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.61E-013  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.14E-011  (Modified Grain method)
    Subcooled liquid VP: 1.58E-011 mm Hg (25 deg C, Mod-Grain method)
                       : 2.1E-009 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0006939
       log Kow used: 8.71 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.092064 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Methacrylates-acid
       Vinyl/Allyl Alcohols-acid
       Vinyl/Allyl Esters-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.27E-012  atm-m3/mole  (6.36E-007 Pa-m3/mole)
   Group Method:   4.99E-014  atm-m3/mole  (5.06E-009 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:  1.278E-010 atm-m3/mole  (1.295E-005 Pa-m3/mole)
      VP:   1.61E-013 mm Hg (source: MPBPVP)
      WS:   0.000694 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.71  (KowWin est)
  Log Kaw used:  -9.591  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.301
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9539
   Biowin2 (Non-Linear Model)     :   0.9481
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9390  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9878  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5812
   Biowin6 (MITI Non-Linear Model):   0.2146
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7699
 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):  2.11E-009 Pa (1.58E-011 mm Hg)
  Log Koa (Koawin est  ): 18.301
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.42E+003 
       Octanol/air (Koa) model:  4.91E+005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 371.2415 E-12 cm3/molecule-sec
      Half-Life =     0.029 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.744 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   173.137497 E-17 cm3/molecule-sec
      Half-Life =     0.007 Days (at 7E11 mol/cm3)
      Half-Life =      9.531 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5451  L/kg (MCI method)
      Log Koc:  3.736       (MCI method)
      Koc    :  3.137E+004  L/kg (Kow method)
      Log Koc:  4.496       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.607E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.917  years  
  Kb Half-Life at pH 7:      39.173  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.000 (BCF = 10 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.5365 days (HL = 34.4 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.085 (BCF = 121.6)
   Log BAF Arnot-Gobas method (upper trophic) = 5.000 (BAF = 9.999e+004)
       log Kow used: 8.71 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.99E-014 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.401E+010  hours   (1E+009 days)
    Half-Life from Model Lake : 2.619E+011  hours   (1.091E+010 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.0112          0.129        1000       
   Water     23.3            360          1000       
   Soil      76.6            720          1000       
   Sediment  0.147           3.24e+003    0          
     Persistence Time: 496 hr