CAS Number: 25637-88-1
SMILES : CCCCCCCCCCCCOC(=O)CC(O)(C(=O)O)CC(=O)OCCCCCCCCCCCC
CHEM   : 
MOL FOR: C30 H56 O7 
MOL WT : 528.78
------------------------------ 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) =  9.69
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  579.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  246.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.55E-015  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.4E-013  (Modified Grain method)
    Subcooled liquid VP: 6.45E-013 mm Hg (25 deg C, Mod-Grain method)
                       : 8.6E-011 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.993e-005
       log Kow used: 9.69 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.2756e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.35E-010  atm-m3/mole  (4.41E-005 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:  8.902E-011 atm-m3/mole  (9.020E-006 Pa-m3/mole)
      VP:   2.55E-015 mm Hg (source: MPBPVP)
      WS:   1.99E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.69  (KowWin est)
  Log Kaw used:  -7.750  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.440
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9498
   Biowin2 (Non-Linear Model)     :   0.9981
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0602  (weeks       )
   Biowin4 (Primary Survey Model) :   4.3130  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.2621
   Biowin6 (MITI Non-Linear Model):   0.9826
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8615
 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):  8.6E-011 Pa (6.45E-013 mm Hg)
  Log Koa (Koawin est  ): 17.440
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.49E+004 
       Octanol/air (Koa) model:  6.76E+004 
   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 =  34.6038 E-12 cm3/molecule-sec
      Half-Life =     0.309 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.709 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    :  2.342E+004  L/kg (MCI method)
      Log Koc:  4.370       (MCI method)
      Koc    :  9.396E+004  L/kg (Kow method)
      Log Koc:  4.973       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.892E-003  L/mol-sec
  Kb Half-Life at pH 8:       7.596  years  
  Kb Half-Life at pH 7:      75.956  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) = -0.2151 days (HL = 0.6093 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.057 (BCF = 1.14)
   Log BAF Arnot-Gobas method (upper trophic) = 0.127 (BAF = 1.338)
       log Kow used: 9.69 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.35E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.095E+006  hours   (1.29E+005 days)
    Half-Life from Model Lake : 3.376E+007  hours   (1.407E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.466           7.42         1000       
   Water     21.8            360          1000       
   Soil      77.7            720          1000       
   Sediment  0.0619          3.24e+003    0          
     Persistence Time: 536 hr