CAS Num: 006259-76-3
SMILES : O=C(OCCCCCC)c(c(O)ccc1)c1
CHEM   : Benzoic acid, 2-hydroxy-, hexyl ester
MOL FOR: C13 H18 O3 
MOL WT : 222.29
------------------------------ 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) =  5.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  327.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  99.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.44E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00326  (Modified Grain method)
    Subcooled liquid VP: 0.00013 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0174 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.084
       log Kow used: 5.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12.823 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.87E-005  atm-m3/mole  (1.90E+000 Pa-m3/mole)
   Group Method:   1.20E-008  atm-m3/mole  (1.21E-003 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:  1.173E-006 atm-m3/mole  (1.189E-001 Pa-m3/mole)
      VP:   2.44E-005 mm Hg (source: MPBPVP)
      WS:   6.08 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.06  (KowWin est)
  Log Kaw used:  -3.117  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.177
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0401
   Biowin2 (Non-Linear Model)     :   0.9988
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2029  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0648  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7392
   Biowin6 (MITI Non-Linear Model):   0.8443
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4396
 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):  0.0173 Pa (0.00013 mm Hg)
  Log Koa (Koawin est  ): 8.177
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000173 
       Octanol/air (Koa) model:  3.69E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00621 
       Mackay model           :  0.0137 
       Octanol/air (Koa) model:  0.00294 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.3069 E-12 cm3/molecule-sec
      Half-Life =     0.584 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.011 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00993 (Junge-Pankow, Mackay avg)
      0.00294 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1770  L/kg (MCI method)
      Log Koc:  3.248       (MCI method)
      Koc    :  6686  L/kg (Kow method)
      Log Koc:  3.825       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.204E-002  L/mol-sec
  Kb Half-Life at pH 8:     250.370  days   
  Kb Half-Life at pH 7:       6.855  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.005 (BCF = 1012 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7475 days (HL = 0.1788 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.874 (BCF = 74.9)
   Log BAF Arnot-Gobas method (upper trophic) = 1.875 (BAF = 74.92)
       log Kow used: 5.06 (estimated)

 Volatilization from Water:
    Henry LC:  1.87E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       48.2  hours   (2.008 days)
    Half-Life from Model Lake :      650.9  hours   (27.12 days)

 Removal In Wastewater Treatment:
    Total removal:              79.58  percent
    Total biodegradation:        0.69  percent
    Total sludge adsorption:    78.73  percent
    Total to Air:                0.16  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.26            14           1000       
   Water     23.3            360          1000       
   Soil      74.1            720          1000       
   Sediment  1.36            3.24e+003    0          
     Persistence Time: 466 hr