CAS Number: 73395-08-1
SMILES : C=CC1(C)CCC(O1)C(C)C(=O)C=CC(C)(C)O
CHEM   : 
MOL FOR: C15 H24 O3 
MOL WT : 252.36
------------------------------ 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) =  2.39
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  325.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  95.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.31E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000708  (Modified Grain method)
    Subcooled liquid VP: 2.57E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00343 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  672.6
       log Kow used: 2.39 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  805.8 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.28E-012  atm-m3/mole  (9.41E-007 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:  2.621E-009 atm-m3/mole  (2.656E-004 Pa-m3/mole)
      VP:   5.31E-006 mm Hg (source: MPBPVP)
      WS:   673 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.39  (KowWin est)
  Log Kaw used:  -9.421  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.811
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0810
   Biowin2 (Non-Linear Model)     :   0.0004
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1861  (months      )
   Biowin4 (Primary Survey Model) :   3.1448  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2496
   Biowin6 (MITI Non-Linear Model):   0.0589
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5338
 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):  0.00343 Pa (2.57E-005 mm Hg)
  Log Koa (Koawin est  ): 11.811
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000875 
       Octanol/air (Koa) model:  0.159 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0307 
       Mackay model           :  0.0655 
       Octanol/air (Koa) model:  0.927 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 120.8387 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 127.6787 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.062 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.005 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.262500 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.350000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.366 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     3.274 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.0481 (Junge-Pankow, Mackay avg)
      0.927 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  34.59  L/kg (MCI method)
      Log Koc:  1.539       (MCI method)
      Koc    :  87.22  L/kg (Kow method)
      Log Koc:  1.941       (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 = 1.246 (BCF = 17.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7605 days (HL = 0.1736 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.267 (BCF = 18.49)
   Log BAF Arnot-Gobas method (upper trophic) = 1.267 (BAF = 18.49)
       log Kow used: 2.39 (estimated)
 
 Volatilization from Water:
    Henry LC:  9.28E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.002E+008  hours   (4.176E+006 days)
    Half-Life from Model Lake : 1.093E+009  hours   (4.556E+007 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.82  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.72  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.17e-005       2.08         1000       
   Water     24.8            1.44e+003    1000       
   Soil      75.1            2.88e+003    1000       
   Sediment  0.09            1.3e+004     0          
     Persistence Time: 1.82e+003 hr