CAS Num: 002050-08-0
SMILES : O=C(OCCCCC)c(c(O)ccc1)c1
CHEM   : Benzoic acid, 2-hydroxy-, pentyl ester
MOL FOR: C12 H16 O3 
MOL WT : 208.26
------------------------------ 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) =  4.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  314.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000842  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.112  (Modified Grain method)
    BP  (exp database):  270 deg C
    Subcooled liquid VP: 0.00362 mm Hg (25 deg C, Mod-Grain method)
                       : 0.483 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  18.94
       log Kow used: 4.57 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  41.372 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 :   1.41E-005  atm-m3/mole  (1.43E+000 Pa-m3/mole)
   Group Method:   8.48E-009  atm-m3/mole  (8.59E-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:  1.218E-005 atm-m3/mole  (1.234E+000 Pa-m3/mole)
      VP:   0.000842 mm Hg (source: MPBPVP)
      WS:   18.9 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.57  (KowWin est)
  Log Kaw used:  -3.239  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.809
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0468
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2339  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0850  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7315
   Biowin6 (MITI Non-Linear Model):   0.8410
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4136
 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):  0.483 Pa (0.00362 mm Hg)
  Log Koa (Koawin est  ): 7.809
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.22E-006 
       Octanol/air (Koa) model:  1.58E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000224 
       Mackay model           :  0.000497 
       Octanol/air (Koa) model:  0.00126 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.8939 E-12 cm3/molecule-sec
      Half-Life =     0.633 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.598 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000361 (Junge-Pankow, Mackay avg)
      0.00126 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  971.3  L/kg (MCI method)
      Log Koc:  2.987       (MCI method)
      Koc    :  3582  L/kg (Kow method)
      Log Koc:  3.554       (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 = 2.681 (BCF = 479.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8867 days (HL = 0.1298 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.741 (BCF = 55.02)
   Log BAF Arnot-Gobas method (upper trophic) = 1.741 (BAF = 55.02)
       log Kow used: 4.57 (estimated)

 Volatilization from Water:
    Henry LC:  1.41E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       61.4  hours   (2.558 days)
    Half-Life from Model Lake :      790.8  hours   (32.95 days)

 Removal In Wastewater Treatment:
    Total removal:              59.84  percent
    Total biodegradation:        0.55  percent
    Total sludge adsorption:    59.00  percent
    Total to Air:                0.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.34            15.2         1000       
   Water     23.9            360          1000       
   Soil      73.9            720          1000       
   Sediment  0.823           3.24e+003    0          
     Persistence Time: 463 hr