CAS Number: 620-92-8
SMILES : Oc(ccc(c1)Cc(ccc(O)c2)c2)c1
CHEM   : Phenol, 4,4'-methylenebis-
MOL FOR: C13 H12 O2 
MOL WT : 200.24
------------------------------ 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) =  3.06
    Log Kow (Exper. database match) =  2.91
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  351.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  128.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.72E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.96E-005  (Modified Grain method)
    MP  (exp database):  162.5 deg C
    Subcooled liquid VP: 9.62E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00128 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  542.8
       log Kow used: 2.91 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  617.64 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.20E-012  atm-m3/mole  (5.27E-007 Pa-m3/mole)
   Group Method:   1.44E-012  atm-m3/mole  (1.46E-007 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:  1.806E-010 atm-m3/mole  (1.830E-005 Pa-m3/mole)
      VP:   3.72E-007 mm Hg (source: MPBPVP)
      WS:   543 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.91  (exp database)
  Log Kaw used:  -9.672  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.582
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9385
   Biowin2 (Non-Linear Model)     :   0.9282
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7946  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5697  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2549
   Biowin6 (MITI Non-Linear Model):   0.1913
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1123
 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):  0.00128 Pa (9.62E-006 mm Hg)
  Log Koa (Koawin est  ): 12.582
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00234 
       Octanol/air (Koa) model:  0.938 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0779 
       Mackay model           :  0.158 
       Octanol/air (Koa) model:  0.987 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  82.4204 E-12 cm3/molecule-sec
      Half-Life =     0.130 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.557 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.118 (Junge-Pankow, Mackay avg)
      0.987 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.511E+004  L/kg (MCI method)
      Log Koc:  4.179       (MCI method)
      Koc    :  738.6  L/kg (Kow method)
      Log Koc:  2.868       (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 = 1.587 (BCF = 38.64 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9845 days (HL = 0.1036 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.448 (BCF = 28.02)
   Log BAF Arnot-Gobas method (upper trophic) = 1.448 (BAF = 28.02)
       log Kow used: 2.91 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.44E-012 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 5.753E+008  hours   (2.397E+007 days)
    Half-Life from Model Lake : 6.276E+009  hours   (2.615E+008 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.99  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.88  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       2.9e-005        3.12         1000       
   Water     14.6            360          1000       
   Soil      79              720          1000       
   Sediment  6.46            3.24e+003    0          
     Persistence Time: 832 hr