CAS Num: 000092-48-8
SMILES : c1c(C)cc2C=CC(=O)Oc2c1
CHEM   : 2H-1-Benzopyran-2-one, 6-methyl-
MOL FOR: C10 H8 O2 
MOL WT : 160.17
------------------------------ 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) =  2.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  305.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  57.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000512  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0683  (Modified Grain method)
    MP  (exp database):  76.5 deg C
    BP  (exp database):  304 deg C
    Subcooled liquid VP: 0.00158 mm Hg (25 deg C, Mod-Grain method)
                       : 0.21 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1189
       log Kow used: 2.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  224.71 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.67E-006  atm-m3/mole  (7.77E-001 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:  9.075E-008 atm-m3/mole  (9.195E-003 Pa-m3/mole)
      VP:   0.000512 mm Hg (source: MPBPVP)
      WS:   1.19E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.06  (KowWin est)
  Log Kaw used:  -3.504  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.564
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9001
   Biowin2 (Non-Linear Model)     :   0.9955
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9106  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7771  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6579
   Biowin6 (MITI Non-Linear Model):   0.7451
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2028
 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):  0.211 Pa (0.00158 mm Hg)
  Log Koa (Koawin est  ): 5.564
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.42E-005 
       Octanol/air (Koa) model:  8.99E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000514 
       Mackay model           :  0.00114 
       Octanol/air (Koa) model:  7.2E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.9311 E-12 cm3/molecule-sec
      Half-Life =     0.716 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.596 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec
      Half-Life =     0.546 Days (at 7E11 mol/cm3)
      Half-Life =     13.097 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000826 (Junge-Pankow, Mackay avg)
      7.2E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  200.6  L/kg (MCI method)
      Log Koc:  2.302       (MCI method)
      Koc    :  99.76  L/kg (Kow method)
      Log Koc:  1.999       (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 = 1.026 (BCF = 10.62 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9176 days (HL = 0.1209 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.973 (BCF = 9.397)
   Log BAF Arnot-Gobas method (upper trophic) = 0.973 (BAF = 9.397)
       log Kow used: 2.06 (estimated)

 Volatilization from Water:
    Henry LC:  7.67E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       97.9  hours   (4.079 days)
    Half-Life from Model Lake :       1174  hours   (48.92 days)

 Removal In Wastewater Treatment:
    Total removal:               2.72  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.20  percent
    Total to Air:                0.43  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.747           7.43         1000       
   Water     26.1            360          1000       
   Soil      72.9            720          1000       
   Sediment  0.25            3.24e+003    0          
     Persistence Time: 447 hr