CAS Num: 000091-01-0
SMILES : OC(c(cccc1)c1)c(cccc2)c2
CHEM   : Benzenemethanol, .alpha.-phenyl-
MOL FOR: C13 H12 O1 
MOL WT : 184.24
------------------------------ 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) =  2.71
    Log Kow (Exper. database match) =  2.67
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  311.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  65.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.91E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00788  (Modified Grain method)
    MP  (exp database):  69 deg C
    BP  (exp database):  298 deg C
    VP  (exp database):  2.73E-05 mm Hg (3.64E-003 Pa) at 20 deg C
    Subcooled liquid VP: 7.44E-005 mm Hg (20 deg C, exp database VP )
                       : 0.00991 Pa  (20 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  891.1
       log Kow used: 2.67 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  520 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  338.94 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Benzyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.76E-008  atm-m3/mole  (1.78E-003 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.32E-08  atm-m3/mole  (1.34E-003 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:  1.608E-008 atm-m3/mole  (1.629E-003 Pa-m3/mole)
      VP:   5.91E-005 mm Hg (source: MPBPVP)
      WS:   891 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.67  (exp database)
  Log Kaw used:  -6.268  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.938
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0747
   Biowin2 (Non-Linear Model)     :   0.9940
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9960  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7212  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3976
   Biowin6 (MITI Non-Linear Model):   0.4194
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4840
 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):  0.00992 Pa (7.44E-005 mm Hg)
  Log Koa (Koawin est  ): 8.938
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000302 
       Octanol/air (Koa) model:  0.000213 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0108 
       Mackay model           :  0.0236 
       Octanol/air (Koa) model:  0.0167 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.1819 E-12 cm3/molecule-sec
      Half-Life =     0.661 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.932 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0172 (Junge-Pankow, Mackay avg)
      0.0167 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  736  L/kg (MCI method)
      Log Koc:  2.867       (MCI method)
      Koc    :  97.84  L/kg (Kow method)
      Log Koc:  1.991       (Kow method)
       Experimental Log Koc:  2.34  (database)

 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 = 1.173 (BCF = 14.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1115 days (HL = 0.07736 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.268 (BCF = 18.54)
   Log BAF Arnot-Gobas method (upper trophic) = 1.268 (BAF = 18.54)
       log Kow used: 2.67 (expkow database)

 Volatilization from Water:
    Henry LC:  1.32E-008 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 6.021E+004  hours   (2509 days)
    Half-Life from Model Lake : 6.569E+005  hours   (2.737E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               3.68  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.58  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       0.194           15.9         1000       
   Water     17.7            360          1000       
   Soil      81.7            720          1000       
   Sediment  0.48            3.24e+003    0          
     Persistence Time: 710 hr