CAS Num: 000094-26-8
SMILES : O=C(OCCCC)c(ccc(O)c1)c1
CHEM   : Benzoic acid, 4-hydroxy-, butyl ester
MOL FOR: C11 H14 O3 
MOL WT : 194.23
------------------------------ 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) =  3.47
    Log Kow (Exper. database match) =  3.57
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  300.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  81.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000251  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0335  (Modified Grain method)
    MP  (exp database):  68.5 deg C
    Subcooled liquid VP: 0.000645 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0859 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  159
       log Kow used: 3.57 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  207 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & HE,Y (2003)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  132.87 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.45E-009  atm-m3/mole  (8.56E-004 Pa-m3/mole)
   Group Method:   6.00E-009  atm-m3/mole  (6.08E-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:  4.034E-007 atm-m3/mole  (4.088E-002 Pa-m3/mole)
      VP:   0.000251 mm Hg (source: MPBPVP)
      WS:   159 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.57  (exp database)
  Log Kaw used:  -6.462  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.032
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0535
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2649  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1052  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7238
   Biowin6 (MITI Non-Linear Model):   0.8377
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3876
 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):  0.086 Pa (0.000645 mm Hg)
  Log Koa (Koawin est  ): 10.032
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.49E-005 
       Octanol/air (Koa) model:  0.00264 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00126 
       Mackay model           :  0.00278 
       Octanol/air (Koa) model:  0.175 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.4808 E-12 cm3/molecule-sec
      Half-Life =     0.691 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.291 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00202 (Junge-Pankow, Mackay avg)
      0.175 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  522.3  L/kg (MCI method)
      Log Koc:  2.718       (MCI method)
      Koc    :  1002  L/kg (Kow method)
      Log Koc:  3.001       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.102E-003  L/mol-sec
  Kb Half-Life at pH 8:       4.305  years  
  Kb Half-Life at pH 7:      43.052  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.022 (BCF = 105.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1816 days (HL = 0.06582 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.424 (BCF = 26.52)
   Log BAF Arnot-Gobas method (upper trophic) = 1.424 (BAF = 26.52)
       log Kow used: 3.57 (expkow database)

 Volatilization from Water:
    Henry LC:  6E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  1.36E+005  hours   (5666 days)
    Half-Life from Model Lake : 1.484E+006  hours   (6.182E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              14.72  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    14.53  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       0.162           16.6         1000       
   Water     19.2            208          1000       
   Soil      80.3            416          1000       
   Sediment  0.289           1.87e+003    0          
     Persistence Time: 443 hr