CAS Num: 008007-12-3
SMILES : CCCCCCCCCCCCCC(=O)(OCC(OC(=O)(CCCCCCCCCCCCC))COC(=O)(CCCCCCCCCCCCC))
CHEM   : Fats, nutmeg butter
MOL FOR: C45 H86 O6 
MOL WT : 723.18
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  18.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  679.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  287.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.32E-016  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.76E-014  (Modified Grain method)
    Subcooled liquid VP: 5.98E-013 mm Hg (25 deg C, Mod-Grain method)
                       : 7.97E-011 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.596e-015
       log Kow used: 18.04 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.2318e-007 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.71E-005  atm-m3/mole  (4.77E+000 Pa-m3/mole)
   Group Method:   1.28E-005  atm-m3/mole  (1.30E+000 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:  7.259E-002 atm-m3/mole  (7.355E+003 Pa-m3/mole)
      VP:   7.32E-016 mm Hg (source: MPBPVP)
      WS:   9.6E-015 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  18.04  (KowWin est)
  Log Kaw used:  -2.715  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  20.755
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2511
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9167  (weeks       )
   Biowin4 (Primary Survey Model) :   4.2984  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.4202
   Biowin6 (MITI Non-Linear Model):   0.9949
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9815
 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):  7.97E-011 Pa (5.98E-013 mm Hg)
  Log Koa (Koawin est  ): 20.755
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.76E+004 
       Octanol/air (Koa) model:  1.4E+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 =  55.7804 E-12 cm3/molecule-sec
      Half-Life =     0.192 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.301 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:  11.053      (MCI method)
      Koc    :  5.921E+010  L/kg (Kow method)
      Log Koc:  10.772      (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.455E-001  L/mol-sec
  Kb Half-Life at pH 8:      55.135  days   
  Kb Half-Life at pH 7:       1.510  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) = 1.4377 days (HL = 27.4 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: 18.04 (estimated)

 Volatilization from Water:
    Henry LC:  1.28E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      125.8  hours   (5.24 days)
    Half-Life from Model Lake :       1597  hours   (66.55 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       0.341           4.6          1000       
   Water     22.6            360          1000       
   Soil      77.1            720          1000       
   Sediment  0.000122        3.24e+003    0          
     Persistence Time: 513 hr