CAS Num: 000094-50-8
SMILES : O=C(OCCCCCCCC)c(cccc1)c1
CHEM   : Benzoic acid, octyl ester
MOL FOR: C15 H22 O2 
MOL WT : 234.34
------------------------------ 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) =  5.27

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  314.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  62.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000406  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0542  (Modified Grain method)
    Subcooled liquid VP: 0.000903 mm Hg (25 deg C, Mod-Grain method)
                       : 0.12 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.9178
       log Kow used: 5.27 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0471 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.52E-004  atm-m3/mole  (2.56E+001 Pa-m3/mole)
   Group Method:   1.94E-004  atm-m3/mole  (1.97E+001 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:  1.364E-004 atm-m3/mole  (1.382E+001 Pa-m3/mole)
      VP:   0.000406 mm Hg (source: MPBPVP)
      WS:   0.918 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.27  (KowWin est)
  Log Kaw used:  -1.987  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.257
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0467
   Biowin2 (Non-Linear Model)     :   0.9994
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1419  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0126  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7461
   Biowin6 (MITI Non-Linear Model):   0.8622
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5336
 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):  0.12 Pa (0.000903 mm Hg)
  Log Koa (Koawin est  ): 7.257
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.49E-005 
       Octanol/air (Koa) model:  4.44E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000899 
       Mackay model           :  0.00199 
       Octanol/air (Koa) model:  0.000355 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.8498 E-12 cm3/molecule-sec
      Half-Life =     0.986 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.830 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00144 (Junge-Pankow, Mackay avg)
      0.000355 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4485  L/kg (MCI method)
      Log Koc:  3.652       (MCI method)
      Koc    :  5950  L/kg (Kow method)
      Log Koc:  3.775       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.427E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.539  years  
  Kb Half-Life at pH 7:      15.388  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.767 (BCF = 58.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5306 days (HL = 0.2947 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.083 (BCF = 120.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.083 (BAF = 121)
       log Kow used: 5.27 (estimated)

 Volatilization from Water:
    Henry LC:  0.000194 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      6.182  hours
    Half-Life from Model Lake :      195.8  hours   (8.158 days)

 Removal In Wastewater Treatment:
    Total removal:              84.89  percent
    Total biodegradation:        0.71  percent
    Total sludge adsorption:    83.25  percent
    Total to Air:                0.93  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.4             23.7         1000       
   Water     18.6            360          1000       
   Soil      76.5            720          1000       
   Sediment  2.55            3.24e+003    0          
     Persistence Time: 449 hr