CAS Num: 000101-81-5
SMILES : c(cccc1)(c1)Cc(cccc2)c2
CHEM   : Benzene, 1,1 -methylenebis-
MOL FOR: C13 H12 
MOL WT : 168.24
------------------------------ 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) =  4.02
    Log Kow (Exper. database match) =  4.14
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  269.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  29.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0122  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.63  (Modified Grain method)
    MP  (exp database):  25.2 deg C
    BP  (exp database):  265.0 deg C
    VP  (exp database):  8.21E-03 mm Hg (1.09E+000 Pa) at 25 deg C
    Subcooled liquid VP: 0.00825 mm Hg (25 deg C, exp database VP )
                       : 1.1 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  18.26
       log Kow used: 4.14 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  14.1 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.1592 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.80E-004  atm-m3/mole  (4.86E+001 Pa-m3/mole)
   Group Method:   9.52E-005  atm-m3/mole  (9.64E+000 Pa-m3/mole)
   Exper Database: 1.29E-04  atm-m3/mole  (1.31E+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:  1.479E-004 atm-m3/mole  (1.499E+001 Pa-m3/mole)
      VP:   0.0122 mm Hg (source: MPBPVP)
      WS:   18.3 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.14  (exp database)
  Log Kaw used:  -2.278  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.418
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9783
   Biowin2 (Non-Linear Model)     :   0.9918
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7966  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5463  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2381
   Biowin6 (MITI Non-Linear Model):   0.2219
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1964
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.9191
     BioHC Half-Life (days)     :   8.3005

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.1 Pa (0.00825 mm Hg)
  Log Koa (Koawin est  ): 6.418
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.73E-006 
       Octanol/air (Koa) model:  6.43E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.85E-005 
       Mackay model           :  0.000218 
       Octanol/air (Koa) model:  5.14E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.6241 E-12 cm3/molecule-sec
      Half-Life =     1.007 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.081 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000158 (Junge-Pankow, Mackay avg)
      5.14E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9160  L/kg (MCI method)
      Log Koc:  3.962       (MCI method)
      Koc    :  3915  L/kg (Kow method)
      Log Koc:  3.593       (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 = 2.399 (BCF = 250.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2526 days (HL = 0.559 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.309 (BCF = 203.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.309 (BAF = 203.7)
       log Kow used: 4.14 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000129 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      7.211  hours
    Half-Life from Model Lake :      187.4  hours   (7.809 days)

 Removal In Wastewater Treatment:
    Total removal:              39.86  percent
    Total biodegradation:        0.36  percent
    Total sludge adsorption:    35.69  percent
    Total to Air:                3.81  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.24            24.2         1000       
   Water     18.8            360          1000       
   Soil      73.8            720          1000       
   Sediment  5.14            3.24e+003    0          
     Persistence Time: 468 hr