CAS Number: 62125-22-8
SMILES : CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCC
         CCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C
CHEM   : [3-(16-methylheptadecanoyloxy)-2,2-bis(16-methylheptadecanoyloxymethy
         l)propyl] 16-methylheptadecanoate
MOL FOR: C77 H148 O8 
MOL WT : 1202.03
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
 Physical Property Inputs:
------------------------------ EPI SUMMARY (v3.20) --------------------------
    Water Solubility (mg/L):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  31.98
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1044.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.43E-027  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.26E-024  (Modified Grain method)
    Subcooled liquid VP: 4.83E-023 mm Hg (25 deg C, Mod-Grain method)
                       : 6.44E-021 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.46e-030
       log Kow used: 31.98 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.202e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.51E-004  atm-m3/mole  (5.59E+001 Pa-m3/mole)
   Group Method:   2.28E-004  atm-m3/mole  (2.31E+001 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:  2.448E+014 atm-m3/mole  (2.481E+019 Pa-m3/mole)
      VP:   1E-015 mm Hg (source: MPBPVP)
      WS:   6.46E-030 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  31.98  (KowWin est)
  Log Kaw used:  -1.647  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  33.627
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6881
   Biowin2 (Non-Linear Model)     :   0.6306
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.8916  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8759  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.3442
   Biowin6 (MITI Non-Linear Model):   0.9716
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.4487
 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):  6.44E-021 Pa (4.83E-023 mm Hg)
  Log Koa (Koawin est  ): 33.627
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.66E+014 
       Octanol/air (Koa) model:  1.04E+021 
   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 =  93.1385 E-12 cm3/molecule-sec
      Half-Life =     0.115 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.378 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    :  1E+010  L/kg (MCI method)
      Log Koc:  19.505      (MCI method)
      Koc    :  3.041E+018  L/kg (Kow method)
      Log Koc:  18.483      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.768E-002  L/mol-sec
  Kb Half-Life at pH 8:     212.874  days   
  Kb Half-Life at pH 7:       5.828  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 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) = 4.5173 days (HL = 3.291e+004 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
       log Kow used: 31.98 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000228 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      12.44  hours
    Half-Life from Model Lake :      426.4  hours   (17.77 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       0.0237          2.76         1000       
   Water     6.02            4.32e+003    1000       
   Soil      94              8.64e+003    1000       
   Sediment  1.64e-018       3.89e+004    0          
     Persistence Time: 4.83e+003 hr