CAS Number: 131766-73-9
SMILES : CCCC1CC(CCO1)(C)OC(=O)C
CHEM   : tetrahydro-4-methyl-2-propyl-2H-pyran-4-olacetate
MOL FOR: C11 H20 O3 
MOL WT : 200.28
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  2.75
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  245.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0277  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.69  (Modified Grain method)
    Subcooled liquid VP: 0.0328 mm Hg (25 deg C, Mod-Grain method)
                       : 4.37 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  196.1
       log Kow used: 2.75 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1840.6 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.28E-007  atm-m3/mole  (8.39E-002 Pa-m3/mole)
   Group Method:   3.88E-007  atm-m3/mole  (3.93E-002 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:  3.722E-005 atm-m3/mole  (3.772E+000 Pa-m3/mole)
      VP:   0.0277 mm Hg (source: MPBPVP)
      WS:   196 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.75  (KowWin est)
  Log Kaw used:  -4.470  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.220
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2951
   Biowin2 (Non-Linear Model)     :   0.2873
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6760  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6246  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7008
   Biowin6 (MITI Non-Linear Model):   0.7270
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0909
 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):  4.37 Pa (0.0328 mm Hg)
  Log Koa (Koawin est  ): 7.220
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.86E-007 
       Octanol/air (Koa) model:  4.07E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.48E-005 
       Mackay model           :  5.49E-005 
       Octanol/air (Koa) model:  0.000326 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.2840 E-12 cm3/molecule-sec
      Half-Life =     0.321 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.856 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.98E-005 (Junge-Pankow, Mackay avg)
      0.000326 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  70.57  L/kg (MCI method)
      Log Koc:  1.849       (MCI method)
      Koc    :  195  L/kg (Kow method)
      Log Koc:  2.290       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.610E-002  L/mol-sec
  Kb Half-Life at pH 8:     174.013  days   
  Kb Half-Life at pH 7:       4.764  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.480 (BCF = 30.22 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2031 days (HL = 0.06264 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.240 (BCF = 17.37)
   Log BAF Arnot-Gobas method (upper trophic) = 1.240 (BAF = 17.37)
       log Kow used: 2.75 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.28E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1002  hours   (41.76 days)
    Half-Life from Model Lake : 1.105E+004  hours   (460.5 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.09  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.93  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.386           7.71         1000       
   Water     26.6            900          1000       
   Soil      72.9            1.8e+003     1000       
   Sediment  0.141           8.1e+003     0          
     Persistence Time: 880 hr