CAS Number: 80-05-7
SMILES : Oc(ccc(c1)C(c(ccc(O)c2)c2)(C)C)c1
CHEM   : Phenol, 4,4 -(1-methylethylidene)bis-
MOL FOR: C15 H16 O2 
MOL WT : 228.29
------------------------------ 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) =  3.64
    Log Kow (Exper. database match) =  3.32
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  363.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  131.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.27E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.03E-005  (Modified Grain method)
    MP  (exp database):  153 deg C
    BP  (exp database):  220 @ 4 mm Hg deg C
    Subcooled liquid VP: 4.6E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000613 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  172.7
       log Kow used: 3.32 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  120 mg/L (25 deg C)
        Exper. Ref:  DORN,PB ET AL. (1987)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  146.15 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.16E-012  atm-m3/mole  (9.28E-007 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:  3.948E-010 atm-m3/mole  (4.001E-005 Pa-m3/mole)
      VP:   2.27E-007 mm Hg (source: MPBPVP)
      WS:   173 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.32  (exp database)
  Log Kaw used:  -9.427  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.747
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6866
   Biowin2 (Non-Linear Model)     :   0.4653
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5953  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4443  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2956
   Biowin6 (MITI Non-Linear Model):   0.1559
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2593
 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):  0.000613 Pa (4.6E-006 mm Hg)
  Log Koa (Koawin est  ): 12.747
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00489 
       Octanol/air (Koa) model:  1.37 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.15 
       Mackay model           :  0.281 
       Octanol/air (Koa) model:  0.991 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  80.5777 E-12 cm3/molecule-sec
      Half-Life =     0.133 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.593 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.216 (Junge-Pankow, Mackay avg)
      0.991 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.767E+004  L/kg (MCI method)
      Log Koc:  4.576       (MCI method)
      Koc    :  1245  L/kg (Kow method)
      Log Koc:  3.095       (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 = 1.858 (BCF = 72.03 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5802 days (HL = 0.2629 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.237 (BCF = 172.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.238 (BAF = 172.8)
       log Kow used: 3.32 (expkow database)
 
 Volatilization from Water:
    Henry LC:  9.16E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.657E+007  hours   (4.024E+006 days)
    Half-Life from Model Lake : 1.054E+009  hours   (4.39E+007 days)
 
 Removal In Wastewater Treatment:
    Total removal:               9.54  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:     9.39  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       7.59e-005       3.18         1000       
   Water     8.31            900          1000       
   Soil      74.1            1.8e+003     1000       
   Sediment  17.6            8.1e+003     0          
     Persistence Time: 2.22e+003 hr