CAS Num: 017369-59-4
SMILES : O=C(OC(c1cccc2)=CCC)c12
CHEM   : 1(3H)-Isobenzofuranone, 3-propylidene-
MOL FOR: C11 H10 O2 
MOL WT : 174.20
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  318.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  66.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000299  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0399  (Modified Grain method)
    Subcooled liquid VP: 0.000738 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0984 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1087
       log Kow used: 2.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  151.35 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.76E-005  atm-m3/mole  (9.89E+000 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:  6.305E-008 atm-m3/mole  (6.388E-003 Pa-m3/mole)
      VP:   0.000299 mm Hg (source: MPBPVP)
      WS:   1.09E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.03  (KowWin est)
  Log Kaw used:  -2.399  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.429
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8388
   Biowin2 (Non-Linear Model)     :   0.9902
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9544  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8254  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6265
   Biowin6 (MITI Non-Linear Model):   0.7111
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4991
 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):  0.0984 Pa (0.000738 mm Hg)
  Log Koa (Koawin est  ): 4.429
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.05E-005 
       Octanol/air (Koa) model:  6.59E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0011 
       Mackay model           :  0.00243 
       Octanol/air (Koa) model:  5.27E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  89.6724 E-12 cm3/molecule-sec
      Half-Life =     0.119 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.431 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00177 (Junge-Pankow, Mackay avg)
      5.27E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  398.5  L/kg (MCI method)
      Log Koc:  2.600       (MCI method)
      Koc    :  96.02  L/kg (Kow method)
      Log Koc:  1.982       (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 v3.00):
   Log BCF from regression-based method = 1.006 (BCF = 10.13 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6173 days (HL = 0.2414 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.013 (BCF = 10.3)
   Log BAF Arnot-Gobas method (upper trophic) = 1.013 (BAF = 10.3)
       log Kow used: 2.03 (estimated)

 Volatilization from Water:
    Henry LC:  9.76E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      9.264  hours
    Half-Life from Model Lake :      211.7  hours   (8.822 days)

 Removal In Wastewater Treatment:
    Total removal:               6.95  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.10  percent
    Total to Air:                4.76  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.166           1.18         1000       
   Water     22.4            360          1000       
   Soil      77.1            720          1000       
   Sediment  0.366           3.24e+003    0          
     Persistence Time: 419 hr