CAS Number: 24394-09-0
SMILES : C12OC(=O)C(=C)C1C(OC(=O)C(=C)C(O)CO)CC(C)=CCCC(CO)=C2
CHEM   : 
MOL FOR: C20 H26 O7 
MOL WT : 378.43
------------------------------ 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) =  0.90
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  551.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  233.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.45E-014  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.27E-012  (Modified Grain method)
    MP  (exp database):  143 deg C
    Subcooled liquid VP: 3.83E-013 mm Hg (25 deg C, Mod-Grain method)
                       : 5.11E-011 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  714.8
       log Kow used: 0.90 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13650 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Acrylates
       Vinyl/Allyl Alcohols
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.59E-014  atm-m3/mole  (6.68E-009 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:  1.707E-017 atm-m3/mole  (1.729E-012 Pa-m3/mole)
      VP:   2.45E-014 mm Hg (source: MPBPVP)
      WS:   715 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.90  (KowWin est)
  Log Kaw used:  -11.570  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.470
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3919
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1232  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1480  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9394
   Biowin6 (MITI Non-Linear Model):   0.6850
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7018
 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):  5.11E-011 Pa (3.83E-013 mm Hg)
  Log Koa (Koawin est  ): 12.470
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.87E+004 
       Octanol/air (Koa) model:  0.724 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.983 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 238.4420 E-12 cm3/molecule-sec
      Half-Life =     0.045 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.538 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    88.275002 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     18.694 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      0.983 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  107.4  L/kg (MCI method)
      Log Koc:  2.031       (MCI method)
      Koc    :  2.943  L/kg (Kow method)
      Log Koc:  0.469       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  7.461E-005  L/mol-sec
  Kb Half-Life at pH 8:     294.369  years  
  Kb Half-Life at pH 7:    2943.688  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.2684 days (HL = 0.00539 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.016 (BCF = 1.037)
   Log BAF Arnot-Gobas method (upper trophic) = 0.016 (BAF = 1.037)
       log Kow used: 0.90 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.59E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.728E+010  hours   (7.201E+008 days)
    Half-Life from Model Lake : 1.885E+011  hours   (7.856E+009 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.88  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.79  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       0.0241          0.242        1000       
   Water     27.2            360          1000       
   Soil      72.6            720          1000       
   Sediment  0.167           3.24e+003    0          
     Persistence Time: 457 hr