CAS Number: 30899-62-8
SMILES : O=C(OC(COC(=O)CCCCCCCCCCC)COC(=O)C)C
CHEM   : Dodecanoic acid, ester with 1,2,3-propanetriol diacetate
MOL FOR: C19 H34 O6 
MOL WT : 358.48
------------------------------ 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) =  5.27
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  377.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  28.40  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.7E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0036  (Modified Grain method)
    Subcooled liquid VP: 2.9E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00386 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.1725
       log Kow used: 5.27 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.39297 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.98E-008  atm-m3/mole  (3.02E-003 Pa-m3/mole)
   Group Method:   1.62E-009  atm-m3/mole  (1.64E-004 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:  7.383E-005 atm-m3/mole  (7.481E+000 Pa-m3/mole)
      VP:   2.7E-005 mm Hg (source: MPBPVP)
      WS:   0.172 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.27  (KowWin est)
  Log Kaw used:  -5.914  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.184
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2079
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1259  (weeks       )
   Biowin4 (Primary Survey Model) :   4.2865  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.2204
   Biowin6 (MITI Non-Linear Model):   0.9903
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9412
 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):  0.00387 Pa (2.9E-005 mm Hg)
  Log Koa (Koawin est  ): 11.184
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000776 
       Octanol/air (Koa) model:  0.0375 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0273 
       Mackay model           :  0.0584 
       Octanol/air (Koa) model:  0.75 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.4332 E-12 cm3/molecule-sec
      Half-Life =     0.499 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.988 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0429 (Junge-Pankow, Mackay avg)
      0.75 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.723E+004  L/kg (MCI method)
      Log Koc:  4.236       (MCI method)
      Koc    :  5116  L/kg (Kow method)
      Log Koc:  3.709       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.161E-001  L/mol-sec
  Kb Half-Life at pH 8:      19.280  days   
  Kb Half-Life at pH 7:     192.801  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.772 (BCF = 59.22 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.2485 days (HL = 0.005642 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.089 (BCF = 12.28)
   Log BAF Arnot-Gobas method (upper trophic) = 1.089 (BAF = 12.28)
       log Kow used: 5.27 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.62E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 6.843E+005  hours   (2.851E+004 days)
    Half-Life from Model Lake : 7.465E+006  hours   (3.11E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:              84.60  percent
    Total biodegradation:        0.72  percent
    Total sludge adsorption:    83.87  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       0.0263          12           1000       
   Water     14.6            360          1000       
   Soil      78.1            720          1000       
   Sediment  7.28            3.24e+003    0          
     Persistence Time: 824 hr