CAS Number: 54750-69-5
SMILES : CC(=C)C1CCC(O1)(C)C=C
CHEM   : 
MOL FOR: C10 H16 O1 
MOL WT : 152.24
------------------------------ 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) =  3.48
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  172.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -21.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.84  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  246  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  78.78
       log Kow used: 3.48 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  406.71 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.03E-004  atm-m3/mole  (3.07E+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:  4.679E-003 atm-m3/mole  (4.741E+002 Pa-m3/mole)
      VP:   1.84 mm Hg (source: MPBPVP)
      WS:   78.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.48  (KowWin est)
  Log Kaw used:  -1.907  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.387
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1438
   Biowin2 (Non-Linear Model)     :   0.0133
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6420  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4649  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4120
   Biowin6 (MITI Non-Linear Model):   0.2588
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4827
 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):  224 Pa (1.68 mm Hg)
  Log Koa (Koawin est  ): 5.387
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.34E-008 
       Octanol/air (Koa) model:  5.98E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.84E-007 
       Mackay model           :  1.07E-006 
       Octanol/air (Koa) model:  4.79E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  91.1054 E-12 cm3/molecule-sec
      Half-Life =     0.117 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.409 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.375000 E-17 cm3/molecule-sec
      Half-Life =     0.833 Days (at 7E11 mol/cm3)
      Half-Life =     20.003 Hrs
   Fraction sorbed to airborne particulates (phi):
      7.78E-007 (Junge-Pankow, Mackay avg)
      4.79E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  235.7  L/kg (MCI method)
      Log Koc:  2.372       (MCI method)
      Koc    :  574.6  L/kg (Kow method)
      Log Koc:  2.759       (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 = 1.965 (BCF = 92.16 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0107 days (HL = 1.025 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.264 (BCF = 183.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.264 (BAF = 183.8)
       log Kow used: 3.48 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000303 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.643  hours
    Half-Life from Model Lake :      143.2  hours   (5.967 days)
 
 Removal In Wastewater Treatment:
    Total removal:              22.77  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    11.69  percent
    Total to Air:               10.91  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.325           2.47         1000       
   Water     17.7            900          1000       
   Soil      81.7            1.8e+003     1000       
   Sediment  0.241           8.1e+003     0          
     Persistence Time: 635 hr