CAS Number: 68915-66-2
SMILES : CCCCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO
CHEM   : Fatty acids, C5-10, esters with polypentaerythritol
MOL FOR: C22 H44 O11 
MOL WT : 484.59
------------------------------ 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) =  -1.99
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  677.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  295.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.88E-020  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.5E-018  (Modified Grain method)
    Subcooled liquid VP: 1.93E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 2.57E-015 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.495e+004
       log Kow used: -1.99 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.59E-019  atm-m3/mole  (2.63E-014 Pa-m3/mole)
   Group Method:   4.15E-042  atm-m3/mole  (4.21E-037 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:  2.667E-025 atm-m3/mole  (2.702E-020 Pa-m3/mole)
      VP:   1.88E-020 mm Hg (source: MPBPVP)
      WS:   4.5E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.99  (KowWin est)
  Log Kaw used:  -16.975  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.985
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6641
   Biowin2 (Non-Linear Model)     :   0.1040
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0329  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0730  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.7885
   Biowin6 (MITI Non-Linear Model):   0.9982
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4646
 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):  2.57E-015 Pa (1.93E-017 mm Hg)
  Log Koa (Koawin est  ): 14.985
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.17E+009 
       Octanol/air (Koa) model:  237 
   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 =  64.9068 E-12 cm3/molecule-sec
      Half-Life =     0.165 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.977 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  1435  L/kg (MCI method)
      Log Koc:  3.157       (MCI method)
      Koc    :  0.05685  L/kg (Kow method)
      Log Koc:  -1.245      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.073E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.060  years  
  Kb Half-Life at pH 7:      10.597  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 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) = -4.8340 days (HL = 1.465e-005 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8932)
       log Kow used: -1.99 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.59E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.976E+015  hours   (2.073E+014 days)
    Half-Life from Model Lake : 5.429E+016  hours   (2.262E+015 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.182           3.96         1000       
   Water     20.1            360          1000       
   Soil      78.7            720          1000       
   Sediment  0.976           3.24e+003    0          
     Persistence Time: 593 hr