CAS Number: 5255-04-9
SMILES : CC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C)C
CHEM   : 
MOL FOR: C16 H26 O3 
MOL WT : 266.38
------------------------------ 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) =  4.89
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  320.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  69.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00025  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0334  (Modified Grain method)
    Subcooled liquid VP: 0.000655 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0874 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.287
       log Kow used: 4.89 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16.083 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Epoxides, mono
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.93E-006  atm-m3/mole  (4.99E-001 Pa-m3/mole)
   Group Method:   1.54E-007  atm-m3/mole  (1.56E-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:  6.808E-005 atm-m3/mole  (6.899E+000 Pa-m3/mole)
      VP:   0.00025 mm Hg (source: MPBPVP)
      WS:   1.29 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.89  (KowWin est)
  Log Kaw used:  -3.696  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.586
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2636
   Biowin2 (Non-Linear Model)     :   0.1362
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5299  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5292  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5570
   Biowin6 (MITI Non-Linear Model):   0.3354
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0150
 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):  0.0873 Pa (0.000655 mm Hg)
  Log Koa (Koawin est  ): 8.586
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.44E-005 
       Octanol/air (Koa) model:  9.46E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00124 
       Mackay model           :  0.00274 
       Octanol/air (Koa) model:  0.00751 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 124.6350 E-12 cm3/molecule-sec
      Half-Life =     0.086 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.030 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    50.393749 E-17 cm3/molecule-sec
      Half-Life =     0.023 Days (at 7E11 mol/cm3)
      Half-Life =     32.747 Min
   Fraction sorbed to airborne particulates (phi):
      0.00199 (Junge-Pankow, Mackay avg)
      0.00751 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1105  L/kg (MCI method)
      Log Koc:  3.043       (MCI method)
      Koc    :  2977  L/kg (Kow method)
      Log Koc:  3.474       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.604E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.326  years  
  Kb Half-Life at pH 7:      33.258  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
  Total Ka (acid-catalyzed) at 25 deg C :  1.447E+000  L/mol-sec
  Ka Half-Life at pH 7:      55.430  days   
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.891 (BCF = 777.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2681 days (HL = 0.5394 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.343 (BCF = 220)
   Log BAF Arnot-Gobas method (upper trophic) = 2.343 (BAF = 220.3)
       log Kow used: 4.89 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.93E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      195.5  hours   (8.146 days)
    Half-Life from Model Lake :       2270  hours   (94.56 days)
 
 Removal In Wastewater Treatment:
    Total removal:              73.94  percent
    Total biodegradation:        0.65  percent
    Total sludge adsorption:    73.23  percent
    Total to Air:                0.06  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0205          0.431        1000       
   Water     18              900          1000       
   Soil      80.9            1.8e+003     1000       
   Sediment  1.1             8.1e+003     0          
     Persistence Time: 1.04e+003 hr