CAS Num: 000628-63-7
SMILES : O=C(OCCCCC)C
CHEM   : Acetic acid, pentyl ester
MOL FOR: C7 H14 O2 
MOL WT : 130.19
------------------------------ 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) =  2.34
    Log Kow (Exper. database match) =  2.30
       Exper. Ref:  ABRAHAM,MH ET AL. (1994)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  148.37  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -44.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.16  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  555  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -70.8 deg C
    BP  (exp database):  149.2 deg C
    VP  (exp database):  3.50E+00 mm Hg (4.67E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  996.8
       log Kow used: 2.30 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1700 mg/L (20 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1409 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.45E-004  atm-m3/mole  (5.52E+001 Pa-m3/mole)
   Group Method:   4.45E-004  atm-m3/mole  (4.51E+001 Pa-m3/mole)
   Exper Database: 3.88E-04  atm-m3/mole  (3.93E+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:  7.149E-004 atm-m3/mole  (7.244E+001 Pa-m3/mole)
      VP:   4.16 mm Hg (source: MPBPVP)
      WS:   997 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.30  (exp database)
  Log Kaw used:  -1.800  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.100
      Log Koa (experimental database):  4.120

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9682
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3500  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1579  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8671
   Biowin6 (MITI Non-Linear Model):   0.9512
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6350
 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):  467 Pa (3.5 mm Hg)
  Log Koa (Exp database): 4.120
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.43E-009 
       Octanol/air (Koa) model:  3.24E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.32E-007 
       Mackay model           :  5.14E-007 
       Octanol/air (Koa) model:  2.59E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.0225 E-12 cm3/molecule-sec
      Half-Life =     1.776 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.312 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.73E-007 (Junge-Pankow, Mackay avg)
      2.59E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  33.79  L/kg (MCI method)
      Log Koc:  1.529       (MCI method)
      Koc    :  135.4  L/kg (Kow method)
      Log Koc:  2.132       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.025E-001  L/mol-sec
  Kb Half-Life at pH 8:      78.232  days   
  Kb Half-Life at pH 7:       2.142  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.185 (BCF = 15.29 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3035 days (HL = 0.04972 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.974 (BCF = 9.409)
   Log BAF Arnot-Gobas method (upper trophic) = 0.974 (BAF = 9.409)
       log Kow used: 2.30 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000388 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.886  hours
    Half-Life from Model Lake :      127.2  hours   (5.298 days)

 Removal In Wastewater Treatment:
    Total removal:              17.15  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.26  percent
    Total to Air:               14.80  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10.4            34           1000       
   Water     34.1            208          1000       
   Soil      55.4            416          1000       
   Sediment  0.101           1.87e+003    0          
     Persistence Time: 180 hr