CAS Number: 451-40-1
SMILES : O=C(c(cccc1)c1)Cc(cccc2)c2
CHEM   : Ethanone, 1,2-diphenyl-
MOL FOR: C14 H12 O1 
MOL WT : 196.25
------------------------------ 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) =  3.38
    Log Kow (Exper. database match) =  3.18
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  313.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  73.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000317  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0422  (Modified Grain method)
    MP  (exp database):  60 deg C
    BP  (exp database):  320 deg C
    VP  (exp database):  1.84E-04 mm Hg (2.45E-002 Pa) at 25 deg C
    Subcooled liquid VP: 0.000408 mm Hg (25 deg C, exp database VP )
                       : 0.0544 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  87.98
       log Kow used: 3.18 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  36.884 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.92E-007  atm-m3/mole  (8.02E-002 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:  9.304E-007 atm-m3/mole  (9.427E-002 Pa-m3/mole)
      VP:   0.000317 mm Hg (source: MPBPVP)
      WS:   88 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.18  (exp database)
  Log Kaw used:  -4.490  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.670
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9718
   Biowin2 (Non-Linear Model)     :   0.9810
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7122  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4836  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2725
   Biowin6 (MITI Non-Linear Model):   0.2263
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1955
 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):  0.0544 Pa (0.000408 mm Hg)
  Log Koa (Koawin est  ): 7.670
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.51E-005 
       Octanol/air (Koa) model:  1.15E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00199 
       Mackay model           :  0.00439 
       Octanol/air (Koa) model:  0.000918 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.3230 E-12 cm3/molecule-sec
      Half-Life =     1.461 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.527 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00319 (Junge-Pankow, Mackay avg)
      0.000918 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2031  L/kg (MCI method)
      Log Koc:  3.308       (MCI method)
      Koc    :  758  L/kg (Kow method)
      Log Koc:  2.880       (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 = 1.180 (BCF = 15.14 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7996 days (HL = 0.1587 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.668 (BCF = 46.53)
   Log BAF Arnot-Gobas method (upper trophic) = 1.668 (BAF = 46.53)
       log Kow used: 3.18 (expkow database)
 
 Volatilization from Water:
    Henry LC:  7.92E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1037  hours   (43.21 days)
    Half-Life from Model Lake : 1.143E+004  hours   (476.3 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.59  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.41  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.863           35.1         1000       
   Water     16.7            900          1000       
   Soil      80.5            1.8e+003     1000       
   Sediment  1.92            8.1e+003     0          
     Persistence Time: 1.16e+003 hr