CAS Num: 006283-92-7
SMILES : O=C(OCCCCCCCCCCCC)C(O)C
CHEM   : Propanoic acid, 2-hydroxy-, dodecyl ester
MOL FOR: C15 H30 O3 
MOL WT : 258.40
------------------------------ 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) =  4.73

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  334.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  77.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.42E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00059  (Modified Grain method)
    Subcooled liquid VP: 1.41E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00187 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.301
       log Kow used: 4.73 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.01e+004 mg/L (25 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.7575 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.20E-004  atm-m3/mole  (8.30E+001 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:  2.385E-007 atm-m3/mole  (2.417E-002 Pa-m3/mole)
      VP:   4.42E-006 mm Hg (source: MPBPVP)
      WS:   6.3 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.73  (KowWin est)
  Log Kaw used:  -1.475  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.205
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0659
   Biowin2 (Non-Linear Model)     :   0.9983
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2266  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1024  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9420
   Biowin6 (MITI Non-Linear Model):   0.9601
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7839
 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):  0.00188 Pa (1.41E-005 mm Hg)
  Log Koa (Koawin est  ): 6.205
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0016 
       Octanol/air (Koa) model:  3.94E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0545 
       Mackay model           :  0.113 
       Octanol/air (Koa) model:  3.15E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.2838 E-12 cm3/molecule-sec
      Half-Life =     0.585 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.020 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0839 (Junge-Pankow, Mackay avg)
      3.15E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  323.7  L/kg (MCI method)
      Log Koc:  2.510       (MCI method)
      Koc    :  1160  L/kg (Kow method)
      Log Koc:  3.064       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.224E-001  L/mol-sec
  Kb Half-Life at pH 8:      18.992  days   
  Kb Half-Life at pH 7:     189.925  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.412 (BCF = 25.84 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9695 days (HL = 0.1073 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.661 (BCF = 45.78)
   Log BAF Arnot-Gobas method (upper trophic) = 1.661 (BAF = 45.78)
       log Kow used: 4.73 (estimated)

 Volatilization from Water:
    Henry LC:  0.00082 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.788  hours
    Half-Life from Model Lake :      165.2  hours   (6.883 days)

 Removal In Wastewater Treatment:
    Total removal:              71.93  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    62.99  percent
    Total to Air:                8.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.86            14           1000       
   Water     21.6            360          1000       
   Soil      75.2            720          1000       
   Sediment  0.299           3.24e+003    0          
     Persistence Time: 327 hr