CAS Number: 88-24-4
SMILES : Oc(c(cc(c1)CC)Cc(c(O)c(cc2CC)C(C)(C)C)c2)c1C(C)(C)C
CHEM   : Phenol, 2,2 -methylenebis[6-(1,1-dimethylethyl)-4-ethyl-
MOL FOR: C25 H36 O2 
MOL WT : 368.56
------------------------------ 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) =  8.95
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  467.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  197.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.85E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.8E-008  (Modified Grain method)
    MP  (exp database):  119-122 deg C
    Subcooled liquid VP: 5E-009 mm Hg (25 deg C, Mod-Grain method)
                       : 6.66E-007 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0004124
       log Kow used: 8.95 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0027569 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.44E-011  atm-m3/mole  (7.53E-006 Pa-m3/mole)
   Group Method:   1.90E-011  atm-m3/mole  (1.92E-006 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:  6.879E-007 atm-m3/mole  (6.970E-002 Pa-m3/mole)
      VP:   5.85E-010 mm Hg (source: MPBPVP)
      WS:   0.000412 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.95  (KowWin est)
  Log Kaw used:  -8.517  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.467
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5999
   Biowin2 (Non-Linear Model)     :   0.1069
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8487  (months      )
   Biowin4 (Primary Survey Model) :   2.8829  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2516
   Biowin6 (MITI Non-Linear Model):   0.0023
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0546
 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):  6.67E-007 Pa (5E-009 mm Hg)
  Log Koa (Koawin est  ): 17.467
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.5 
       Octanol/air (Koa) model:  7.19E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.994 
       Mackay model           :  0.997 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.9402 E-12 cm3/molecule-sec
      Half-Life =     0.261 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.135 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.996 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7.237E+006  L/kg (MCI method)
      Log Koc:  6.860       (MCI method)
      Koc    :  1.619E+006  L/kg (Kow method)
      Log Koc:  6.209       (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 = 2.946 (BCF = 883.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4220 days (HL = 2.643 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.827 (BCF = 6.71)
   Log BAF Arnot-Gobas method (upper trophic) = 1.928 (BAF = 84.71)
       log Kow used: 8.95 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.9E-011 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 5.916E+007  hours   (2.465E+006 days)
    Half-Life from Model Lake : 6.454E+008  hours   (2.689E+007 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00176         6.27         1000       
   Water     3.68            1.44e+003    1000       
   Soil      58.4            2.88e+003    1000       
   Sediment  37.9            1.3e+004     0          
     Persistence Time: 4.44e+003 hr