CAS Num: 000128-37-0
SMILES : Oc(c(cc(c1)C)C(C)(C)C)c1C(C)(C)C
CHEM   : Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
MOL FOR: C15 H24 O1 
MOL WT : 220.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.03
    Log Kow (Exper. database match) =  5.10
       Exper. Ref:  TSCATS

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  296.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  83.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00177  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.236  (Modified Grain method)
    MP  (exp database):  71 deg C
    BP  (exp database):  265 deg C
    VP  (exp database):  5.16E-03 mm Hg (6.88E-001 Pa) at 25 deg C
    Subcooled liquid VP: 0.0147 mm Hg (25 deg C, exp database VP )
                       : 1.96 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.748
       log Kow used: 5.10 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.6 mg/L (25 deg C)
        Exper. Ref:  INUI,H ET AL. (1979A)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10.351 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.12E-006  atm-m3/mole  (4.18E-001 Pa-m3/mole)
   Group Method:   3.38E-006  atm-m3/mole  (3.42E-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:  8.928E-005 atm-m3/mole  (9.047E+000 Pa-m3/mole)
      VP:   0.00177 mm Hg (source: MPBPVP)
      WS:   5.75 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.10  (exp database)
  Log Kaw used:  -3.774  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.874
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4453
   Biowin2 (Non-Linear Model)     :   0.1109
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2695  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.1941  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3164
   Biowin6 (MITI Non-Linear Model):   0.1318
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7917
 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):  1.96 Pa (0.0147 mm Hg)
  Log Koa (Koawin est  ): 8.874
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.53E-006 
       Octanol/air (Koa) model:  0.000184 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.53E-005 
       Mackay model           :  0.000122 
       Octanol/air (Koa) model:  0.0145 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.2887 E-12 cm3/molecule-sec
      Half-Life =     0.585 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.018 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      8.89E-005 (Junge-Pankow, Mackay avg)
      0.0145 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.475E+004  L/kg (MCI method)
      Log Koc:  4.169       (MCI method)
      Koc    :  8183  L/kg (Kow method)
      Log Koc:  3.913       (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 = 2.810 (BCF = 645.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0623 days (HL = 1.154 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.902 (BCF = 798)
   Log BAF Arnot-Gobas method (upper trophic) = 2.914 (BAF = 820.5)
       log Kow used: 5.10 (expkow database)

 Volatilization from Water:
    Henry LC:  3.38E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      258.7  hours   (10.78 days)
    Half-Life from Model Lake :       2946  hours   (122.8 days)

 Removal In Wastewater Treatment:
    Total removal:              80.64  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    79.92  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.463           14           1000       
   Water     14.7            900          1000       
   Soil      72.3            1.8e+003     1000       
   Sediment  12.5            8.1e+003     0          
     Persistence Time: 1.21e+003 hr