CAS Number: 70851-04-6
SMILES : CCCCCCCCCC(=O)OCC(CO)(COCC(CO)(CO)COC(=O)CCCCCC)COC(=O)CCCCCCC
CHEM   : Decanoic acid, mixed esters with dipentaerythritol, heptanoic acid an
         d octanoic acid
MOL FOR: C35 H66 O10 
MOL WT : 646.91
------------------------------ EPI SUMMARY (v4.11) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  7.74
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  689.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  301.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.02E-021  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.02E-019  (Modified Grain method)
    Subcooled liquid VP: 7.29E-018 mm Hg (25 deg C, Mod-Grain method)
                       : 9.72E-016 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.945e-005
       log Kow used: 7.74 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0017684 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.19E-015  atm-m3/mole  (1.21E-010 Pa-m3/mole)
   Group Method:   5.73E-025  atm-m3/mole  (5.81E-020 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:  2.635E-016 atm-m3/mole  (2.669E-011 Pa-m3/mole)
      VP:   6.02E-021 mm Hg (source: MPBPVP)
      WS:   1.94E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.74  (KowWin est)
  Log Kaw used:  -13.313  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.053
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0484
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1322  (weeks       )
   Biowin4 (Primary Survey Model) :   4.4802  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.7744
   Biowin6 (MITI Non-Linear Model):   0.9986
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3340
 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):  9.72E-016 Pa (7.29E-018 mm Hg)
  Log Koa (Koawin est  ): 21.053
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.09E+009 
       Octanol/air (Koa) model:  2.77E+008 
   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 =  55.3989 E-12 cm3/molecule-sec
      Half-Life =     0.193 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.317 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    :  6.888E+005  L/kg (MCI method)
      Log Koc:  5.838       (MCI method)
      Koc    :  1.451E+004  L/kg (Kow method)
      Log Koc:  4.162       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.087E-002  L/mol-sec
  Kb Half-Life at pH 8:     157.691  days   
  Kb Half-Life at pH 7:       4.317  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 3.166 (BCF = 1465 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.4133 days (HL = 0.003861 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.261 (BCF = 1.822)
   Log BAF Arnot-Gobas method (upper trophic) = 0.261 (BAF = 1.823)
       log Kow used: 7.74 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.19E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.251E+012  hours   (5.214E+010 days)
    Half-Life from Model Lake : 1.365E+013  hours   (5.688E+011 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.00  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.22  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       0.207           4.63         1000       
   Water     10.1            360          1000       
   Soil      46.5            720          1000       
   Sediment  43.2            3.24e+003    0          
     Persistence Time: 851 hr