CAS Number: 41059-95-4
SMILES : CCC(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3(=O))OC(=O)C)C)C
CHEM   : 
MOL FOR: C22 H32 O6 
MOL WT : 392.50
------------------------------ 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) =  4.41
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  440.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  142.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.59E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.45E-006  (Modified Grain method)
    Subcooled liquid VP: 8.66E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000115 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.5794
       log Kow used: 4.41 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.29026 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.25E-009  atm-m3/mole  (5.32E-004 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:  4.983E-008 atm-m3/mole  (5.049E-003 Pa-m3/mole)
      VP:   5.59E-008 mm Hg (source: MPBPVP)
      WS:   0.579 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.41  (KowWin est)
  Log Kaw used:  -6.668  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.078
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7154
   Biowin2 (Non-Linear Model)     :   0.9980
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3282  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6615  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8528
   Biowin6 (MITI Non-Linear Model):   0.5606
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3238
 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):  0.000115 Pa (8.66E-007 mm Hg)
  Log Koa (Koawin est  ): 11.078
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.026 
       Octanol/air (Koa) model:  0.0294 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.484 
       Mackay model           :  0.675 
       Octanol/air (Koa) model:  0.702 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  71.6337 E-12 cm3/molecule-sec
      Half-Life =     0.149 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.792 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.58 (Junge-Pankow, Mackay avg)
      0.702 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6.622E+004  L/kg (MCI method)
      Log Koc:  4.821       (MCI method)
      Koc    :  1711  L/kg (Kow method)
      Log Koc:  3.233       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.910E-002  L/mol-sec
  Kb Half-Life at pH 8:      80.948  days   
  Kb Half-Life at pH 7:       2.216  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.579 (BCF = 379.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.7262 days (HL = 0.01879 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.6)
   Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.6)
       log Kow used: 4.41 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.25E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.209E+005  hours   (9206 days)
    Half-Life from Model Lake :  2.41E+006  hours   (1.004E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:              51.22  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    50.73  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       0.0352          3.12         1000       
   Water     8.12            900          1000       
   Soil      62.7            1.8e+003     1000       
   Sediment  29.1            8.1e+003     0          
     Persistence Time: 2.01e+003 hr