CAS Number: 61800-40-6
SMILES : CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)CCCC)OC(=O)C
CHEM   : 2-ethylhexyl 12-acetyloxyoctadecanoate
MOL FOR: C28 H54 O4 
MOL WT : 454.74
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  11.06
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  448.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  72.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.89E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.52E-005  (Modified Grain method)
    Subcooled liquid VP: 5.25E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 7E-005 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.969e-007
       log Kow used: 11.06 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.4617e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.82E-004  atm-m3/mole  (2.86E+001 Pa-m3/mole)
   Group Method:   2.34E-004  atm-m3/mole  (2.37E+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:  2.276E-001 atm-m3/mole  (2.306E+004 Pa-m3/mole)
      VP:   1.89E-007 mm Hg (source: MPBPVP)
      WS:   4.97E-007 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.06  (KowWin est)
  Log Kaw used:  -1.938  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.998
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0963
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0714  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1877  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9354
   Biowin6 (MITI Non-Linear Model):   0.9404
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4141
 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):  7E-005 Pa (5.25E-007 mm Hg)
  Log Koa (Koawin est  ): 12.998
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0429 
       Octanol/air (Koa) model:  2.44 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.608 
       Mackay model           :  0.774 
       Octanol/air (Koa) model:  0.995 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.6866 E-12 cm3/molecule-sec
      Half-Life =     0.300 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.597 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.691 (Junge-Pankow, Mackay avg)
      0.995 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.26E+006  L/kg (MCI method)
      Log Koc:  6.100       (MCI method)
      Koc    :  8.157E+006  L/kg (Kow method)
      Log Koc:  6.912       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.451E-002  L/mol-sec
  Kb Half-Life at pH 8:     180.212  days   
  Kb Half-Life at pH 7:       4.934  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.537 (BCF = 34.44 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3255 days (HL = 2.116 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.032 (BCF = 0.9293)
   Log BAF Arnot-Gobas method (upper trophic) = 0.101 (BAF = 1.263)
       log Kow used: 11.06 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000234 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      7.512  hours
    Half-Life from Model Lake :      260.8  hours   (10.86 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       0.521           7.19         1000       
   Water     22.6            360          1000       
   Soil      76.7            720          1000       
   Sediment  0.147           3.24e+003    0          
     Persistence Time: 512 hr