CAS Number: 82-57-5
SMILES : c12cc3occc3c(OC)c1C(=O)C=C(C)O2
CHEM   : Visnagin
MOL FOR: C13 H10 O4 
MOL WT : 230.22
------------------------------ 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) =  2.92
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  361.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  132.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.28E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000571  (Modified Grain method)
    MP  (exp database):  144.5 deg C
    Subcooled liquid VP: 6.95E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00927 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  97.76
       log Kow used: 2.92 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  24.623 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.28E-009  atm-m3/mole  (7.38E-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:  1.326E-008 atm-m3/mole  (1.344E-003 Pa-m3/mole)
      VP:   4.28E-006 mm Hg (source: MPBPVP)
      WS:   97.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.92  (KowWin est)
  Log Kaw used:  -6.526  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.446
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9086
   Biowin2 (Non-Linear Model)     :   0.9778
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5517  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6476  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5671
   Biowin6 (MITI Non-Linear Model):   0.4467
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2813
 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):  0.00927 Pa (6.95E-005 mm Hg)
  Log Koa (Koawin est  ): 9.446
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000324 
       Octanol/air (Koa) model:  0.000685 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0116 
       Mackay model           :  0.0252 
       Octanol/air (Koa) model:  0.052 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 231.3806 E-12 cm3/molecule-sec
      Half-Life =     0.046 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.555 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.687500 E-17 cm3/molecule-sec
      Half-Life =     0.201 Days (at 7E11 mol/cm3)
      Half-Life =      4.836 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.0184 (Junge-Pankow, Mackay avg)
      0.052 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  244.7  L/kg (MCI method)
      Log Koc:  2.389       (MCI method)
      Koc    :  704.2  L/kg (Kow method)
      Log Koc:  2.848       (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 = 1.007 (BCF = 10.17 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4485 days (HL = 0.356 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.736 (BCF = 54.42)
   Log BAF Arnot-Gobas method (upper trophic) = 1.736 (BAF = 54.42)
       log Kow used: 2.92 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.28E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  1.22E+005  hours   (5084 days)
    Half-Life from Model Lake : 1.331E+006  hours   (5.547E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               5.07  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.95  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       0.0248          0.902        1000       
   Water     17.9            900          1000       
   Soil      81.9            1.8e+003     1000       
   Sediment  0.251           8.1e+003     0          
     Persistence Time: 1.21e+003 hr