CAS Num: 000477-43-0
SMILES : O=C(OC1C(C(=C)C2)C(C2)C3=C)C(=C)C1CC3
CHEM   : Azuleno[4,5-b]furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, [3aS
         -(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.)]- (9CI)
MOL FOR: C15 H18 O2 
MOL WT : 230.31
------------------------------ 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) =  3.31

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  343.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  99.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.59E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00479  (Modified Grain method)
    Subcooled liquid VP: 0.000189 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0252 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  45.13
       log Kow used: 3.31 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.6573 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.63E-004  atm-m3/mole  (1.66E+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:  2.411E-007 atm-m3/mole  (2.443E-002 Pa-m3/mole)
      VP:   3.59E-005 mm Hg (source: MPBPVP)
      WS:   45.1 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.31  (KowWin est)
  Log Kaw used:  -2.176  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.486
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8121
   Biowin2 (Non-Linear Model)     :   0.9785
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8304  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7444  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5365
   Biowin6 (MITI Non-Linear Model):   0.2540
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2445
 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):  0.0252 Pa (0.000189 mm Hg)
  Log Koa (Koawin est  ): 5.486
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000119 
       Octanol/air (Koa) model:  7.52E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00428 
       Mackay model           :  0.00943 
       Octanol/air (Koa) model:  6.01E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 133.6322 E-12 cm3/molecule-sec
      Half-Life =     0.080 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.960 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     3.537500 E-17 cm3/molecule-sec
      Half-Life =     0.324 Days (at 7E11 mol/cm3)
      Half-Life =      7.775 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00686 (Junge-Pankow, Mackay avg)
      6.01E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3321  L/kg (MCI method)
      Log Koc:  3.521       (MCI method)
      Koc    :  490.2  L/kg (Kow method)
      Log Koc:  2.690       (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 = 1.851 (BCF = 71 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1946 days (HL = 0.6389 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.077 (BCF = 119.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.077 (BAF = 119.3)
       log Kow used: 3.31 (estimated)

 Volatilization from Water:
    Henry LC:  0.000163 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:          7  hours
    Half-Life from Model Lake :      203.6  hours   (8.484 days)

 Removal In Wastewater Treatment:
    Total removal:              15.86  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.88  percent
    Total to Air:                6.83  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.209           1.54         1000       
   Water     19.4            360          1000       
   Soil      78.3            720          1000       
   Sediment  2.03            3.24e+003    0          
     Persistence Time: 437 hr