CAS Num: 020279-51-0
SMILES : O=C(OCCCCCC)C(O)C
CHEM   : Propanoic acid, 2-hydroxy-, hexyl ester
MOL FOR: C9 H18 O3 
MOL WT : 174.24
------------------------------ 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) =  1.78

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  244.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  17.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00463  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.617  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5719
       log Kow used: 1.78 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.27e+004 mg/L (25 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6474.4 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.50E-004  atm-m3/mole  (1.52E+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:  1.856E-007 atm-m3/mole  (1.881E-002 Pa-m3/mole)
      VP:   0.00463 mm Hg (source: MPBPVP)
      WS:   5.72E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.78  (KowWin est)
  Log Kaw used:  -2.212  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.992
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1059
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4126  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2238  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8959
   Biowin6 (MITI Non-Linear Model):   0.9540
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6279
 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):  0.592 Pa (0.00444 mm Hg)
  Log Koa (Koawin est  ): 3.992
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.07E-006 
       Octanol/air (Koa) model:  2.41E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000183 
       Mackay model           :  0.000405 
       Octanol/air (Koa) model:  1.93E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.8055 E-12 cm3/molecule-sec
      Half-Life =     1.091 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.090 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000294 (Junge-Pankow, Mackay avg)
      1.93E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  27.08  L/kg (Kow method)
      Log Koc:  1.433       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.482E-001  L/mol-sec
  Kb Half-Life at pH 8:       8.460  days   
  Kb Half-Life at pH 7:      84.602  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.842 (BCF = 6.956 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8044 days (HL = 0.01569 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.433 (BCF = 2.711)
   Log BAF Arnot-Gobas method (upper trophic) = 0.433 (BAF = 2.711)
       log Kow used: 1.78 (estimated)

 Volatilization from Water:
    Henry LC:  0.00015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      6.499  hours
    Half-Life from Model Lake :      181.6  hours   (7.566 days)

 Removal In Wastewater Treatment:
    Total removal:               8.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.88  percent
    Total to Air:                6.92  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.62            26.2         1000       
   Water     38.9            208          1000       
   Soil      53.4            416          1000       
   Sediment  0.0819          1.87e+003    0          
     Persistence Time: 187 hr