CAS Number: 57710-57-3
SMILES : O=C(O)C1=CC3C(C(=O)OC1)C2(OC2)CCC3C(C)C
CHEM   : 
MOL FOR: C15 H20 O5 
MOL WT : 280.32
------------------------------ 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) =  1.47
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  425.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  163.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.6E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.01E-005  (Modified Grain method)
    Subcooled liquid VP: 2.02E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00027 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2192
       log Kow used: 1.47 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  422.02 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters-acid
       Epoxides, mono acid subst-acid
       Vinyl/Allyl Esters-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.89E-012  atm-m3/mole  (3.95E-007 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:  1.279E-011 atm-m3/mole  (1.296E-006 Pa-m3/mole)
      VP:   7.6E-008 mm Hg (source: MPBPVP)
      WS:   2.19E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.47  (KowWin est)
  Log Kaw used:  -9.799  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.269
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3297
   Biowin2 (Non-Linear Model)     :   0.1975
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8637  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8946  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5447
   Biowin6 (MITI Non-Linear Model):   0.2370
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1570
 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):  0.000269 Pa (2.02E-006 mm Hg)
  Log Koa (Koawin est  ): 11.269
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0111 
       Octanol/air (Koa) model:  0.0456 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.287 
       Mackay model           :  0.471 
       Octanol/air (Koa) model:  0.785 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  50.1170 E-12 cm3/molecule-sec
      Half-Life =     0.213 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.561 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.379 (Junge-Pankow, Mackay avg)
      0.785 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  53.64  L/kg (MCI method)
      Log Koc:  1.730       (MCI method)
      Koc    :  6.496  L/kg (Kow method)
      Log Koc:  0.813       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  7.966E-002  L/mol-sec
  Ka Half-Life at pH 7:       2.757  years  
    (Total Ka applies to epoxide(s) only)
 
 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) = -1.0371 days (HL = 0.09181 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.510 (BCF = 3.237)
   Log BAF Arnot-Gobas method (upper trophic) = 0.510 (BAF = 3.237)
       log Kow used: 1.47 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.89E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  2.52E+008  hours   (1.05E+007 days)
    Half-Life from Model Lake : 2.749E+009  hours   (1.145E+008 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.96  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.87  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       0.000111        2.15         1000       
   Water     21.6            360          1000       
   Soil      78.3            720          1000       
   Sediment  0.0871          3.24e+003    0          
     Persistence Time: 722 hr