CAS Number: 66873-37-8
SMILES : CC1CCC2=C(CC3C(CC12)C(=C)C(=O)O3)C
CHEM   : 
MOL FOR: C15 H20 O2 
MOL WT : 232.33
------------------------------ 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) =  3.37
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  348.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  99.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.63E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00351  (Modified Grain method)
    Subcooled liquid VP: 0.000141 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0188 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  39.29
       log Kow used: 3.37 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.4547 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.59E-004  atm-m3/mole  (2.62E+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:  2.046E-007 atm-m3/mole  (2.073E-002 Pa-m3/mole)
      VP:   2.63E-005 mm Hg (source: MPBPVP)
      WS:   39.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.37  (KowWin est)
  Log Kaw used:  -1.975  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.345
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8111
   Biowin2 (Non-Linear Model)     :   0.9779
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8260  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7415  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5066
   Biowin6 (MITI Non-Linear Model):   0.2295
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3795
 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):  0.0188 Pa (0.000141 mm Hg)
  Log Koa (Koawin est  ): 5.345
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00016 
       Octanol/air (Koa) model:  5.43E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00573 
       Mackay model           :  0.0126 
       Octanol/air (Koa) model:  4.35E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 141.1355 E-12 cm3/molecule-sec
      Half-Life =     0.076 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.909 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   121.137497 E-17 cm3/molecule-sec
      Half-Life =     0.009 Days (at 7E11 mol/cm3)
      Half-Life =     13.623 Min
   Fraction sorbed to airborne particulates (phi):
      0.00917 (Junge-Pankow, Mackay avg)
      4.35E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3255  L/kg (MCI method)
      Log Koc:  3.513       (MCI method)
      Koc    :  529.1  L/kg (Kow method)
      Log Koc:  2.724       (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 = 1.889 (BCF = 77.52 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0871 days (HL = 0.8182 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.157 (BCF = 143.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.157 (BAF = 143.4)
       log Kow used: 3.37 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000259 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      5.001  hours
    Half-Life from Model Lake :      182.4  hours   (7.598 days)
 
 Removal In Wastewater Treatment:
    Total removal:              19.72  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     9.69  percent
    Total to Air:                9.88  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0298          0.202        1000       
   Water     18.5            360          1000       
   Soil      79.6            720          1000       
   Sediment  1.9             3.24e+003    0          
     Persistence Time: 428 hr