CAS Number: 54993-30-5
SMILES : CC(=O)OCC1CCCC(C1)(C)C
CHEM   : 
MOL FOR: C11 H20 O2 
MOL WT : 184.28
------------------------------ 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) =  4.00
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  222.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  13.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.114  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  15.2  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  19.94
       log Kow used: 4.00 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  144.68 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.46E-004  atm-m3/mole  (7.56E+001 Pa-m3/mole)
   Group Method:   2.94E-004  atm-m3/mole  (2.98E+001 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:  1.386E-003 atm-m3/mole  (1.405E+002 Pa-m3/mole)
      VP:   0.114 mm Hg (source: MPBPVP)
      WS:   19.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.00  (KowWin est)
  Log Kaw used:  -1.516  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.516
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6501
   Biowin2 (Non-Linear Model)     :   0.9398
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7200  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6574  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7173
   Biowin6 (MITI Non-Linear Model):   0.7950
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0204
 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):  14.1 Pa (0.106 mm Hg)
  Log Koa (Koawin est  ): 5.516
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.12E-007 
       Octanol/air (Koa) model:  8.05E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.67E-006 
       Mackay model           :  1.7E-005 
       Octanol/air (Koa) model:  6.44E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.4771 E-12 cm3/molecule-sec
      Half-Life =     0.932 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.183 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.23E-005 (Junge-Pankow, Mackay avg)
      6.44E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  267.9  L/kg (MCI method)
      Log Koc:  2.428       (MCI method)
      Koc    :  1180  L/kg (Kow method)
      Log Koc:  3.072       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.778E-002  L/mol-sec
  Kb Half-Life at pH 8:     118.354  days   
  Kb Half-Life at pH 7:       3.240  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.309 (BCF = 203.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6806 days (HL = 0.2086 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.915 (BCF = 82.26)
   Log BAF Arnot-Gobas method (upper trophic) = 1.915 (BAF = 82.26)
       log Kow used: 4.00 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000294 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      4.089  hours
    Half-Life from Model Lake :      158.4  hours   (6.601 days)
 
 Removal In Wastewater Treatment:
    Total removal:              37.14  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    28.39  percent
    Total to Air:                8.45  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.11            22.4         1000       
   Water     16.8            900          1000       
   Soil      80.9            1.8e+003     1000       
   Sediment  0.256           8.1e+003     0          
     Persistence Time: 679 hr