CAS Number: 71990-26-6
SMILES : OC(c3cocc3)CC2(C(=O))C1CCC(O)C(C)(O)C1(C)CC(OC(=O)(C))C2C
CHEM   : Oils, Eriocephalus africanus
MOL FOR: C22 H32 O7 
MOL WT : 408.50
------------------------------ 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) =  1.73
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  510.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  217.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.69E-014  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.02E-011  (Modified Grain method)
    Subcooled liquid VP: 8.7E-012 mm Hg (25 deg C, Mod-Grain method)
                       : 1.16E-009 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  90.38
       log Kow used: 1.73 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9464.9 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)
       Esters
       Benzyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.53E-015  atm-m3/mole  (6.62E-010 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:  4.573E-016 atm-m3/mole  (4.634E-011 Pa-m3/mole)
      VP:   7.69E-014 mm Hg (source: MPBPVP)
      WS:   90.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.73  (KowWin est)
  Log Kaw used:  -12.574  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.304
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7776
   Biowin2 (Non-Linear Model)     :   0.9961
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1426  (months      )
   Biowin4 (Primary Survey Model) :   3.4826  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9520
   Biowin6 (MITI Non-Linear Model):   0.6106
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3544
 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):  1.16E-009 Pa (8.7E-012 mm Hg)
  Log Koa (Koawin est  ): 14.304
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.59E+003 
       Octanol/air (Koa) model:  49.4 
   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 = 192.4149 E-12 cm3/molecule-sec
      Half-Life =     0.056 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.667 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   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    :  124.6  L/kg (MCI method)
      Log Koc:  2.096       (MCI method)
      Koc    :  5.811  L/kg (Kow method)
      Log Koc:  0.764       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.014E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.184  days   
  Kb Half-Life at pH 7:       7.288  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.553 (BCF = 3.57 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6148 days (HL = 0.02428 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.494 (BCF = 3.117)
   Log BAF Arnot-Gobas method (upper trophic) = 0.494 (BAF = 3.117)
       log Kow used: 1.73 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.53E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.812E+011  hours   (7.551E+009 days)
    Half-Life from Model Lake : 1.977E+012  hours   (8.237E+010 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.06  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.97  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       0.0049          1.33         1000       
   Water     15.5            1.44e+003    1000       
   Soil      84.4            2.88e+003    1000       
   Sediment  0.129           1.3e+004     0          
     Persistence Time: 2.18e+003 hr