CAS Num: 000109-21-7
SMILES : O=C(OCCCC)CCC
CHEM   : Butanoic acid, butyl ester
MOL FOR: C8 H16 O2 
MOL WT : 144.22
------------------------------ 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) =  2.83

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  170.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -32.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.76  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  235  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -70.7 deg C
    BP  (exp database):  167.5 deg C
    VP  (exp database):  1.81E+00 mm Hg (2.41E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  308.7
       log Kow used: 2.83 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  500 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  453.25 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.23E-004  atm-m3/mole  (7.33E+001 Pa-m3/mole)
   Group Method:   6.29E-004  atm-m3/mole  (6.37E+001 Pa-m3/mole)
   Exper Database: 6.87E-04  atm-m3/mole  (6.96E+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:  1.082E-003 atm-m3/mole  (1.096E+002 Pa-m3/mole)
      VP:   1.76 mm Hg (source: MPBPVP)
      WS:   309 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.83  (KowWin est)
  Log Kaw used:  -1.551  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.381
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9615
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3190  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1377  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8747
   Biowin6 (MITI Non-Linear Model):   0.9523
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6610
 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):  241 Pa (1.81 mm Hg)
  Log Koa (Koawin est  ): 4.381
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.24E-008 
       Octanol/air (Koa) model:  5.9E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.49E-007 
       Mackay model           :  9.94E-007 
       Octanol/air (Koa) model:  4.72E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.2395 E-12 cm3/molecule-sec
      Half-Life =     1.714 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.571 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.22E-007 (Junge-Pankow, Mackay avg)
      4.72E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  64.46  L/kg (MCI method)
      Log Koc:  1.809       (MCI method)
      Koc    :  266  L/kg (Kow method)
      Log Koc:  2.425       (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 = 1.533 (BCF = 34.14 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1528 days (HL = 0.07034 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.303 (BCF = 20.1)
   Log BAF Arnot-Gobas method (upper trophic) = 1.303 (BAF = 20.1)
       log Kow used: 2.83 (estimated)

 Volatilization from Water:
    Henry LC:  0.000687 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.249  hours
    Half-Life from Model Lake :      125.2  hours   (5.218 days)

 Removal In Wastewater Treatment:
    Total removal:              25.97  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     3.78  percent
    Total to Air:               22.10  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       8.87            24.2         1000       
   Water     32.9            208          1000       
   Soil      58.1            416          1000       
   Sediment  0.13            1.87e+003    0          
     Persistence Time: 172 hr