CAS Number: 533-60-8
SMILES : O=C(C(O)CCC1)C1
CHEM   : Cyclohexanone, 2-hydroxy-
MOL FOR: C6 H10 O2 
MOL WT : 114.15
------------------------------ 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) =  0.51
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  219.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  17.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0231  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.08  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.261e+005
       log Kow used: 0.51 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  65732 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       a-,b-Ketone alcohol
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.97E-006  atm-m3/mole  (8.08E-001 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:  2.751E-008 atm-m3/mole  (2.788E-003 Pa-m3/mole)
      VP:   0.0231 mm Hg (source: MPBPVP)
      WS:   1.26E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.51  (KowWin est)
  Log Kaw used:  -3.487  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.997
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8588
   Biowin2 (Non-Linear Model)     :   0.8862
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0844  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7903  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7428
   Biowin6 (MITI Non-Linear Model):   0.8681
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1364
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.81 Pa (0.0211 mm Hg)
  Log Koa (Koawin est  ): 3.997
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.07E-006 
       Octanol/air (Koa) model:  2.44E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.85E-005 
       Mackay model           :  8.53E-005 
       Octanol/air (Koa) model:  1.95E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.6392 E-12 cm3/molecule-sec
      Half-Life =     0.606 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.276 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.19E-005 (Junge-Pankow, Mackay avg)
      1.95E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.368  L/kg (MCI method)
      Log Koc:  0.136       (MCI method)
      Koc    :  9.803  L/kg (Kow method)
      Log Koc:  0.991       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5185 days (HL = 0.03031 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.033 (BCF = 1.078)
   Log BAF Arnot-Gobas method (upper trophic) = 0.033 (BAF = 1.078)
       log Kow used: 0.51 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.97E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      79.58  hours   (3.316 days)
    Half-Life from Model Lake :      957.7  hours   (39.9 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.30  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.45  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.99            14.6         1000       
   Water     46.5            360          1000       
   Soil      51.4            720          1000       
   Sediment  0.0878          3.24e+003    0          
     Persistence Time: 333 hr