CAS Number: 538-43-2
SMILES : OCC(O)COc1ccccc1
CHEM   : Phenyl glycerol
MOL FOR: C9 H12 O3 
MOL WT : 168.19
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  0.86
    Log Kow (Exper. database match) =  0.70
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  305.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  68.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.06E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00275  (Modified Grain method)
    MP  (exp database):  67.5 deg C
    BP  (exp database):  129-142 @ 0.6 mm Hg deg C
    Subcooled liquid VP: 5.17E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0069 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.583e+004
       log Kow used: 0.70 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1315e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.51E-010  atm-m3/mole  (7.61E-005 Pa-m3/mole)
   Group Method:   1.81E-012  atm-m3/mole  (1.84E-007 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:  2.880E-010 atm-m3/mole  (2.918E-005 Pa-m3/mole)
      VP:   2.06E-005 mm Hg (source: MPBPVP)
      WS:   1.58E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.70  (exp database)
  Log Kaw used:  -7.513  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.213
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2449
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1113  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9460  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8185
   Biowin6 (MITI Non-Linear Model):   0.9138
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9068
 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):  0.00689 Pa (5.17E-005 mm Hg)
  Log Koa (Koawin est  ): 8.213
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000435 
       Octanol/air (Koa) model:  4.01E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0155 
       Mackay model           :  0.0336 
       Octanol/air (Koa) model:  0.0032 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  43.0853 E-12 cm3/molecule-sec
      Half-Life =     0.248 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.979 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0246 (Junge-Pankow, Mackay avg)
      0.0032 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  3.51  L/kg (Kow method)
      Log Koc:  0.545       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.7876 days (HL = 0.01631 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.041 (BCF = 1.098)
   Log BAF Arnot-Gobas method (upper trophic) = 0.041 (BAF = 1.098)
       log Kow used: 0.70 (expkow database)
 
 Volatilization from Water:
    Henry LC:  7.51E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.011E+006  hours   (4.213E+004 days)
    Half-Life from Model Lake : 1.103E+007  hours   (4.596E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.87  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       0.0159          5.96         1000       
   Water     30.8            360          1000       
   Soil      69.2            720          1000       
   Sediment  0.0692          3.24e+003    0          
     Persistence Time: 631 hr