CAS Number: 121-71-1
SMILES : O=C(c(cccc1O)c1)C
CHEM   : Ethanone, 1-(3-hydroxyphenyl)-
MOL FOR: C8 H8 O2 
MOL WT : 136.15
------------------------------ 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) =  1.19
    Log Kow (Exper. database match) =  1.39
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  246.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  51.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000169  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0225  (Modified Grain method)
    MP  (exp database):  96 deg C
    BP  (exp database):  296 deg C
    Subcooled liquid VP: 0.000823 mm Hg (25 deg C, Mod-Grain method)
                       : 0.11 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.147e+004
       log Kow used: 1.39 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9805e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.02E-009  atm-m3/mole  (1.03E-004 Pa-m3/mole)
   Group Method:   1.34E-009  atm-m3/mole  (1.36E-004 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:  1.410E-009 atm-m3/mole  (1.429E-004 Pa-m3/mole)
      VP:   0.000169 mm Hg (source: MPBPVP)
      WS:   2.15E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.39  (exp database)
  Log Kaw used:  -7.380  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.770
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8054
   Biowin2 (Non-Linear Model)     :   0.8221
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9322  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6688  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5223
   Biowin6 (MITI Non-Linear Model):   0.6028
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0636
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.11 Pa (0.000823 mm Hg)
  Log Koa (Koawin est  ): 8.770
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.73E-005 
       Octanol/air (Koa) model:  0.000145 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000987 
       Mackay model           :  0.00218 
       Octanol/air (Koa) model:  0.0114 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.2895 E-12 cm3/molecule-sec
      Half-Life =     0.749 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.982 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00158 (Junge-Pankow, Mackay avg)
      0.0114 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  66.59  L/kg (MCI method)
      Log Koc:  1.823       (MCI method)
      Koc    :  113.9  L/kg (Kow method)
      Log Koc:  2.056       (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 = -0.001 (BCF = 0.9978 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2289 days (HL = 0.05903 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.417 (BCF = 2.612)
   Log BAF Arnot-Gobas method (upper trophic) = 0.417 (BAF = 2.612)
       log Kow used: 1.39 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.34E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 5.098E+005  hours   (2.124E+004 days)
    Half-Life from Model Lake : 5.562E+006  hours   (2.317E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.94  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.85  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       0.0247          18           1000       
   Water     20.8            360          1000       
   Soil      79              720          1000       
   Sediment  0.0949          3.24e+003    0          
     Persistence Time: 723 hr