CAS Number: 13491-79-7
SMILES : OC(C(C(C)(C)C)CCC1)C1
CHEM   : Cyclohexanol, 2-(1,1-dimethylethyl)-
MOL FOR: C10 H20 O1 
MOL WT : 156.27
------------------------------ 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) =  3.42
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  216.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  4.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0158  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.1  (Modified Grain method)
    MP  (exp database):  45 deg C
    Subcooled liquid VP: 0.024 mm Hg (25 deg C, Mod-Grain method)
                       : 3.2 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  278
       log Kow used: 3.42 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1326.7 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.52E-005  atm-m3/mole  (1.54E+000 Pa-m3/mole)
   Group Method:   2.13E-005  atm-m3/mole  (2.16E+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:  1.169E-005 atm-m3/mole  (1.184E+000 Pa-m3/mole)
      VP:   0.0158 mm Hg (source: MPBPVP)
      WS:   278 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.42  (KowWin est)
  Log Kaw used:  -3.207  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.627
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6479
   Biowin2 (Non-Linear Model)     :   0.5459
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8017  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5983  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5810
   Biowin6 (MITI Non-Linear Model):   0.5406
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0053
 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):  3.2 Pa (0.024 mm Hg)
  Log Koa (Koawin est  ): 6.627
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.37E-007 
       Octanol/air (Koa) model:  1.04E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.39E-005 
       Mackay model           :  7.5E-005 
       Octanol/air (Koa) model:  8.32E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.1767 E-12 cm3/molecule-sec
      Half-Life =     0.530 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.361 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.44E-005 (Junge-Pankow, Mackay avg)
      8.32E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  78.82  L/kg (MCI method)
      Log Koc:  1.897       (MCI method)
      Koc    :  254.3  L/kg (Kow method)
      Log Koc:  2.405       (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 = 1.922 (BCF = 83.48 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1020 days (HL = 0.7906 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.178 (BCF = 150.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.178 (BAF = 150.6)
       log Kow used: 3.42 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.13E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      35.64  hours   (1.485 days)
    Half-Life from Model Lake :      493.6  hours   (20.57 days)
 
 Removal In Wastewater Treatment:
    Total removal:              12.32  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    11.10  percent
    Total to Air:                1.05  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.38            12.7         1000       
   Water     28.3            360          1000       
   Soil      70.2            720          1000       
   Sediment  0.142           3.24e+003    0          
     Persistence Time: 418 hr