CAS Number: 72258-83-4
SMILES : O=C2OC1(CCC(CC1)C(C)(C)C)CC2
CHEM   : 
MOL FOR: C13 H22 O2 
MOL WT : 210.32
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  3.71
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  309.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  63.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000525  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.07  (Modified Grain method)
    Subcooled liquid VP: 0.00121 mm Hg (25 deg C, Mod-Grain method)
                       : 0.161 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  26.48
       log Kow used: 3.71 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  32.794 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.80E-004  atm-m3/mole  (5.87E+001 Pa-m3/mole)
   Group Method:   7.22E-005  atm-m3/mole  (7.31E+000 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  5.487E-006 atm-m3/mole  (5.559E-001 Pa-m3/mole)
      VP:   0.000525 mm Hg (source: MPBPVP)
      WS:   26.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.71  (KowWin est)
  Log Kaw used:  -1.625  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.335
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4537
   Biowin2 (Non-Linear Model)     :   0.6582
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4504  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4664  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6974
   Biowin6 (MITI Non-Linear Model):   0.7400
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5799
 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):  0.161 Pa (0.00121 mm Hg)
  Log Koa (Koawin est  ): 5.335
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.86E-005 
       Octanol/air (Koa) model:  5.31E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000671 
       Mackay model           :  0.00149 
       Octanol/air (Koa) model:  4.25E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.8964 E-12 cm3/molecule-sec
      Half-Life =     0.982 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.779 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00108 (Junge-Pankow, Mackay avg)
      4.25E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  806.7  L/kg (MCI method)
      Log Koc:  2.907       (MCI method)
      Koc    :  815.9  L/kg (Kow method)
      Log Koc:  2.912       (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 = 2.112 (BCF = 129.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3217 days (HL = 0.4767 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.165 (BCF = 146.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.165 (BAF = 146.3)
       log Kow used: 3.71 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.22E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      13.24  hours
    Half-Life from Model Lake :        266  hours   (11.09 days)
 
 Removal In Wastewater Treatment:
    Total removal:              21.45  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    18.23  percent
    Total to Air:                2.99  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.12            23.6         1000       
   Water     15.3            900          1000       
   Soil      82.9            1.8e+003     1000       
   Sediment  0.682           8.1e+003     0          
     Persistence Time: 970 hr