CAS Number: 31105-79-0
SMILES : CC1=CC2C(CCC(=C)C(CC1)OO)C(=C)C(=O)O2
CHEM   : 
MOL FOR: C15 H20 O4 
MOL WT : 264.32
------------------------------ 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) =  2.85
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  396.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  142.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.74E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.98E-005  (Modified Grain method)
    Subcooled liquid VP: 1.03E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00137 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  73.04
       log Kow used: 2.85 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.988 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Acrylates
       Peroxy Acids
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.05E-008  atm-m3/mole  (4.10E-003 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:  3.209E-009 atm-m3/mole  (3.252E-004 Pa-m3/mole)
      VP:   6.74E-007 mm Hg (source: MPBPVP)
      WS:   73 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.85  (KowWin est)
  Log Kaw used:  -5.781  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.631
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7959
   Biowin2 (Non-Linear Model)     :   0.9656
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7553  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6953  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4171
   Biowin6 (MITI Non-Linear Model):   0.1257
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1990
 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):  0.00137 Pa (1.03E-005 mm Hg)
  Log Koa (Koawin est  ): 8.631
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00218 
       Octanol/air (Koa) model:  0.000105 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0731 
       Mackay model           :  0.149 
       Octanol/air (Koa) model:  0.00833 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 172.2578 E-12 cm3/molecule-sec
      Half-Life =     0.062 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.745 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    45.337502 E-17 cm3/molecule-sec
      Half-Life =     0.025 Days (at 7E11 mol/cm3)
      Half-Life =     36.399 Min
   Fraction sorbed to airborne particulates (phi):
      0.111 (Junge-Pankow, Mackay avg)
      0.00833 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.016E+004  L/kg (MCI method)
      Log Koc:  4.007       (MCI method)
      Koc    :  272.9  L/kg (Kow method)
      Log Koc:  2.436       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.545 (BCF = 35.05 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2910 days (HL = 0.5117 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.738 (BCF = 54.7)
   Log BAF Arnot-Gobas method (upper trophic) = 1.738 (BAF = 54.7)
       log Kow used: 2.85 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.05E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  2.35E+004  hours   (979.4 days)
    Half-Life from Model Lake : 2.566E+005  hours   (1.069E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.60  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.48  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       0.0395          0.431        1000       
   Water     22.2            360          1000       
   Soil      71              720          1000       
   Sediment  6.73            3.24e+003    0          
     Persistence Time: 503 hr