CAS Num: 001405-86-3
SMILES : O1C(C(=O)O)C(O)C(O)C(O)C1OC2C(O)C(O)C(C(=O)O)OC2OC3C(C)(C)C4CCC5(C)C6
         (C)CCC7(C)CCC(C)(C(=O)O)CC7C6=CC(=O)C5C4(C)CC3
CHEM   : Glycyrrhizic acid
MOL FOR: C42 H62 O16 
MOL WT : 822.95
------------------------------ 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) =  3.19
    Log Kow (Exper. database match) =  2.80
       Exper. Ref:  SANGSTER (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  1034.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.21E-032  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.95E-030  (Modified Grain method)
    MP  (exp database):  220 dec deg C
    Subcooled liquid VP: 2.68E-030 mm Hg (25 deg C, Mod-Grain method)
                       : 3.57E-028 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.05298
       log Kow used: 2.80 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  33037 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.23E-035  atm-m3/mole  (1.24E-030 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:  2.044E-029 atm-m3/mole  (2.071E-024 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   0.053 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.80  (exp database)
  Log Kaw used:  -33.299  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  36.099
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.1187
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9443  (months      )
   Biowin4 (Primary Survey Model) :   3.4826  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5032
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.5244
 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):  3.57E-028 Pa (2.68E-030 mm Hg)
  Log Koa (Koawin est  ): 36.099
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.4E+021 
       Octanol/air (Koa) model:  3.08E+023 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 229.5758 E-12 cm3/molecule-sec
      Half-Life =     0.047 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.559 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.772E+005  L/kg (MCI method)
      Log Koc:  5.679       (MCI method)
      Koc    :  5.186  L/kg (Kow method)
      Log Koc:  0.715       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3969 days (HL = 2.494 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.804 (BCF = 63.65)
   Log BAF Arnot-Gobas method (upper trophic) = 1.804 (BAF = 63.66)
       log Kow used: 2.80 (expkow database)

 Volatilization from Water:
    Henry LC:  1.23E-035 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.366E+032  hours   (5.69E+030 days)
    Half-Life from Model Lake :  1.49E+033  hours   (6.207E+031 days)

 Removal In Wastewater Treatment:
    Total removal:               4.31  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.20  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       7.8e-007        1.07         1000       
   Water     2.19            1.44e+003    1000       
   Soil      49              2.88e+003    1000       
   Sediment  48.8            1.3e+004     0          
     Persistence Time: 5.37e+003 hr