CAS Number: 
SMILES : O=C2CCCC3(C)CCC1CC23OC1(C)C
CHEM   : 
MOL FOR: C14 H22 O2 
MOL WT : 222.33
------------------------------ 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) =  2.98
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  292.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  87.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00129  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.171  (Modified Grain method)
    Subcooled liquid VP: 0.00517 mm Hg (25 deg C, Mod-Grain method)
                       : 0.69 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  94.96
       log Kow used: 2.98 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  522.49 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.53E-007  atm-m3/mole  (7.63E-002 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:  3.974E-006 atm-m3/mole  (4.027E-001 Pa-m3/mole)
      VP:   0.00129 mm Hg (source: MPBPVP)
      WS:   95 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.98  (KowWin est)
  Log Kaw used:  -4.512  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.492
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2506
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0403  (months      )
   Biowin4 (Primary Survey Model) :   3.0347  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5048
   Biowin6 (MITI Non-Linear Model):   0.3494
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.7351
 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):  0.689 Pa (0.00517 mm Hg)
  Log Koa (Koawin est  ): 7.492
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.35E-006 
       Octanol/air (Koa) model:  7.62E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000157 
       Mackay model           :  0.000348 
       Octanol/air (Koa) model:  0.000609 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.1424 E-12 cm3/molecule-sec
      Half-Life =     0.531 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.372 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000253 (Junge-Pankow, Mackay avg)
      0.000609 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  285.3  L/kg (MCI method)
      Log Koc:  2.455       (MCI method)
      Koc    :  476.9  L/kg (Kow method)
      Log Koc:  2.678       (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 = 1.635 (BCF = 43.12 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3161 days (HL = 0.4829 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.826 (BCF = 67.06)
   Log BAF Arnot-Gobas method (upper trophic) = 1.826 (BAF = 67.06)
       log Kow used: 2.98 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.53E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1161  hours   (48.37 days)
    Half-Life from Model Lake : 1.279E+004  hours   (532.9 days)
 
 Removal In Wastewater Treatment:
    Total removal:               5.56  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.40  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.335           12.7         1000       
   Water     17              1.44e+003    1000       
   Soil      82.3            2.88e+003    1000       
   Sediment  0.297           1.3e+004     0          
     Persistence Time: 1.5e+003 hr