CAS Number: 17627-43-9
SMILES : C12CCC3(C)OC3CCC(=C)C1CC2(C)C
CHEM   : 
MOL FOR: C15 H24 O1 
MOL WT : 220.36
------------------------------ 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) =  4.91
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  263.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  62.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.01  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.34  (Modified Grain method)
    MP  (exp database):  62-63 deg C
    Subcooled liquid VP: 0.0222 mm Hg (25 deg C, Mod-Grain method)
                       : 2.97 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.21
       log Kow used: 4.91 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.626 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Epoxides, mono
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.18E-004  atm-m3/mole  (8.28E+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:  1.312E-003 atm-m3/mole  (1.329E+002 Pa-m3/mole)
      VP:   0.01 mm Hg (source: MPBPVP)
      WS:   2.21 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.91  (KowWin est)
  Log Kaw used:  -1.476  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.386
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0726
   Biowin2 (Non-Linear Model)     :   0.0009
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2793  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2132  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3429
   Biowin6 (MITI Non-Linear Model):   0.0966
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9571
 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):  2.96 Pa (0.0222 mm Hg)
  Log Koa (Koawin est  ): 6.386
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.01E-006 
       Octanol/air (Koa) model:  5.97E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.66E-005 
       Mackay model           :  8.11E-005 
       Octanol/air (Koa) model:  4.78E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.4535 E-12 cm3/molecule-sec
      Half-Life =     0.169 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.023 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      5.88E-005 (Junge-Pankow, Mackay avg)
      4.78E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3962  L/kg (MCI method)
      Log Koc:  3.598       (MCI method)
      Koc    :  3551  L/kg (Kow method)
      Log Koc:  3.550       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  1.159E+001  L/mol-sec
  Ka Half-Life at pH 7:       6.919  days   
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.905 (BCF = 802.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8856 days (HL = 7.685 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.339 (BCF = 2181)
   Log BAF Arnot-Gobas method (upper trophic) = 3.417 (BAF = 2611)
       log Kow used: 4.91 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000818 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.577  hours
    Half-Life from Model Lake :      152.6  hours   (6.358 days)
 
 Removal In Wastewater Treatment:
    Total removal:              77.54  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    70.68  percent
    Total to Air:                6.27  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.28            3.44         1000       
   Water     10.1            900          1000       
   Soil      87.4            1.8e+003     1000       
   Sediment  2.29            8.1e+003     0          
     Persistence Time: 902 hr