CAS Num: 000638-25-5
SMILES : O=C(OCCCCC)CCCCCCC
CHEM   : Octanoic acid, pentyl ester
MOL FOR: C13 H26 O2 
MOL WT : 214.35
------------------------------ 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) =  5.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  264.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  23.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0151  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.01  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -38 deg C
    BP  (exp database):  122-124 @ 20 mm Hg deg C
    VP  (exp database):  2.14E-02 mm Hg (2.85E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.132
       log Kow used: 5.28 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.3911 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.98E-003  atm-m3/mole  (3.02E+002 Pa-m3/mole)
   Group Method:   3.54E-003  atm-m3/mole  (3.58E+002 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:  3.762E-003 atm-m3/mole  (3.812E+002 Pa-m3/mole)
      VP:   0.0151 mm Hg (source: MPBPVP)
      WS:   1.13 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.28  (KowWin est)
  Log Kaw used:  -0.914  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.194
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0365
   Biowin2 (Non-Linear Model)     :   0.9996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4624  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3056  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9132
   Biowin6 (MITI Non-Linear Model):   0.9576
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4732
 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):  2.85 Pa (0.0214 mm Hg)
  Log Koa (Koawin est  ): 6.194
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.05E-006 
       Octanol/air (Koa) model:  3.84E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.8E-005 
       Mackay model           :  8.41E-005 
       Octanol/air (Koa) model:  3.07E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.3047 E-12 cm3/molecule-sec
      Half-Life =     0.804 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.647 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.1E-005 (Junge-Pankow, Mackay avg)
      3.07E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1296  L/kg (MCI method)
      Log Koc:  3.113       (MCI method)
      Koc    :  6026  L/kg (Kow method)
      Log Koc:  3.780       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.317E-002  L/mol-sec
  Kb Half-Life at pH 8:     150.863  days   
  Kb Half-Life at pH 7:       4.130  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.779 (BCF = 60.14 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4229 days (HL = 0.3777 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.188 (BCF = 154.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.188 (BAF = 154.3)
       log Kow used: 5.28 (estimated)

 Volatilization from Water:
    Henry LC:  0.00354 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.736  hours
    Half-Life from Model Lake :      141.7  hours   (5.904 days)

 Removal In Wastewater Treatment:
    Total removal:              88.14  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    77.16  percent
    Total to Air:               10.37  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.17            19.3         1000       
   Water     22.9            208          1000       
   Soil      71.2            416          1000       
   Sediment  0.685           1.87e+003    0          
     Persistence Time: 220 hr