CAS Number: 5337-72-4
SMILES : OC(C(CC1)C)C(C1)C
CHEM   : CYCLOHEXANOL, 2,6-DIMETHYL-
MOL FOR: C8 H16 O1 
MOL WT : 128.22
------------------------------ 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) =  2.47
    Log Kow (Exper. database match) =  2.10
       Exper. Ref:  FUNASAKI,N ET AL. (1986)
    Log Kow (Exper. database match) =  2.37
       Exper. Ref:  FUNASAKI,N ET AL. (1986)
    Log Kow (Exper. database match) =  2.38
       Exper. Ref:  FUNASAKI,N ET AL. (1986)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  191.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -17.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.233  (Modified Grain method)
    VP (Pa, 25 deg C) :  31.1  (Modified Grain method)
    MP  (exp database):  32.5 deg C
    BP  (exp database):  176 deg C
    Subcooled liquid VP: 0.272 mm Hg (25 deg C, Mod-Grain method)
                       : 36.3 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2805
       log Kow used: 2.38 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5467.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.63E-006  atm-m3/mole  (8.74E-001 Pa-m3/mole)
   Group Method:   1.07E-005  atm-m3/mole  (1.08E+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:  1.401E-005 atm-m3/mole  (1.420E+000 Pa-m3/mole)
      VP:   0.233 mm Hg (source: MPBPVP)
      WS:   2.81E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.38  (exp database)
  Log Kaw used:  -3.452  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.832
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8452
   Biowin2 (Non-Linear Model)     :   0.9094
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0758  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7922  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5892
   Biowin6 (MITI Non-Linear Model):   0.5470
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5680
 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):  36.3 Pa (0.272 mm Hg)
  Log Koa (Koawin est  ): 5.832
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.27E-008 
       Octanol/air (Koa) model:  1.67E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.99E-006 
       Mackay model           :  6.62E-006 
       Octanol/air (Koa) model:  1.33E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.8563 E-12 cm3/molecule-sec
      Half-Life =     0.513 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.154 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.8E-006 (Junge-Pankow, Mackay avg)
      1.33E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  30.15  L/kg (MCI method)
      Log Koc:  1.479       (MCI method)
      Koc    :  67.62  L/kg (Kow method)
      Log Koc:  1.830       (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 v3.00):
   Log BCF from regression-based method = 1.237 (BCF = 17.27 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3792 days (HL = 0.4177 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.346 (BCF = 22.2)
   Log BAF Arnot-Gobas method (upper trophic) = 1.346 (BAF = 22.2)
       log Kow used: 2.38 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.07E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      63.11  hours   (2.63 days)
    Half-Life from Model Lake :      783.5  hours   (32.64 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.38  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.69  percent
    Total to Air:                0.59  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.4             12.3         1000       
   Water     33.3            360          1000       
   Soil      65.2            720          1000       
   Sediment  0.103           3.24e+003    0          
     Persistence Time: 396 hr