CAS Number: 523-59-1
SMILES : O(C(=O)C=C1)c(c1cc2)c(C=CC3(C)C)c2O3
CHEM   : 2H,8H-BENZO[1,2-B:3,4-B']DIPYRAN-2-ONE, 8,8-DIMETHYL-
MOL FOR: C14 H12 O3 
MOL WT : 228.25
------------------------------ 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) =  3.18
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  369.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  125.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.54E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000605  (Modified Grain method)
    Subcooled liquid VP: 4.57E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00609 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  60.34
       log Kow used: 3.18 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.4388 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.93E-007  atm-m3/mole  (1.96E-002 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:  2.260E-008 atm-m3/mole  (2.290E-003 Pa-m3/mole)
      VP:   4.54E-006 mm Hg (source: MPBPVP)
      WS:   60.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.18  (KowWin est)
  Log Kaw used:  -5.103  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.283
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7610
   Biowin2 (Non-Linear Model)     :   0.9875
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5647  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6711  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6817
   Biowin6 (MITI Non-Linear Model):   0.6219
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2076
 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):  0.00609 Pa (4.57E-005 mm Hg)
  Log Koa (Koawin est  ): 8.283
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000492 
       Octanol/air (Koa) model:  4.71E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0175 
       Mackay model           :  0.0379 
       Octanol/air (Koa) model:  0.00375 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  88.2349 E-12 cm3/molecule-sec
      Half-Life =     0.121 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.455 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     4.200000 E-17 cm3/molecule-sec
      Half-Life =     0.273 Days (at 7E11 mol/cm3)
      Half-Life =      6.549 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.0277 (Junge-Pankow, Mackay avg)
      0.00375 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  661.4  L/kg (MCI method)
      Log Koc:  2.820       (MCI method)
      Koc    :  472.5  L/kg (Kow method)
      Log Koc:  2.674       (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 = 1.762 (BCF = 57.86 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7865 days (HL = 0.1635 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.675 (BCF = 47.37)
   Log BAF Arnot-Gobas method (upper trophic) = 1.675 (BAF = 47.37)
       log Kow used: 3.18 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.93E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       4585  hours   (191 days)
    Half-Life from Model Lake : 5.014E+004  hours   (2089 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.56  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.41  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.086           2.01         1000       
   Water     18.5            900          1000       
   Soil      80.7            1.8e+003     1000       
   Sediment  0.676           8.1e+003     0          
     Persistence Time: 1.06e+003 hr