CAS Number: 5928-67-6
SMILES : c1ccc(cc1)C(C(=O)c2ccccc2)O
CHEM   : (2S)-2-hydroxy-1,2-di(phenyl)ethanone
MOL FOR: C14 H12 O2 
MOL WT : 212.25
------------------------------ 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) =  1.84
    Log Kow (Exper. database match) =  2.13
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  349.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  106.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.77E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.7E-005  (Modified Grain method)
    MP  (exp database):  137 deg C
    BP  (exp database):  344 deg C
    VP  (exp database):  1.26E-05 mm Hg (1.68E-003 Pa) at 25 deg C
    Subcooled liquid VP: 0.000161 mm Hg (25 deg C, exp database VP )
                       : 0.0215 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1856
       log Kow used: 2.13 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  300 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
     Water Sol (Exper. database match) =  300 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3908 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Benzyl Alcohols
       Benzyl Ketones 
       a-,b-Ketone alcohol
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.24E-007  atm-m3/mole  (1.25E-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:  8.682E-011 atm-m3/mole  (8.797E-006 Pa-m3/mole)
      VP:   5.77E-007 mm Hg (source: MPBPVP)
      WS:   1.86E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.13  (exp database)
  Log Kaw used:  -5.295  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.425
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0682
   Biowin2 (Non-Linear Model)     :   0.9860
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9116  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6585  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4320
   Biowin6 (MITI Non-Linear Model):   0.4255
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0921
 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):  0.0215 Pa (0.000161 mm Hg)
  Log Koa (Koawin est  ): 7.425
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00014 
       Octanol/air (Koa) model:  6.53E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00502 
       Mackay model           :  0.0111 
       Octanol/air (Koa) model:  0.000522 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.6359 E-12 cm3/molecule-sec
      Half-Life =     0.919 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.031 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00804 (Junge-Pankow, Mackay avg)
      0.000522 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  163.1  L/kg (MCI method)
      Log Koc:  2.213       (MCI method)
      Koc    :  77.16  L/kg (Kow method)
      Log Koc:  1.887       (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 = 0.232 (BCF = 1.705 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5293 days (HL = 0.02956 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.758 (BCF = 5.724)
   Log BAF Arnot-Gobas method (upper trophic) = 0.758 (BAF = 5.724)
       log Kow used: 2.13 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.24E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       6880  hours   (286.7 days)
    Half-Life from Model Lake : 7.518E+004  hours   (3133 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.39  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.29  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.931           22.1         1000       
   Water     22.7            360          1000       
   Soil      76.2            720          1000       
   Sediment  0.186           3.24e+003    0          
     Persistence Time: 561 hr