CAS Number: 3153-37-5
SMILES : O=C(OC)CCCCL
CHEM   : Butanoic acid, 4-chloro-, methyl ester
MOL FOR: C5 H9 CL1 O2 
MOL WT : 136.58
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  1.61
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  163.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -36.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.23  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  164  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  175 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3654
       log Kow used: 1.61 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5505.8 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.09E-004  atm-m3/mole  (1.10E+001 Pa-m3/mole)
   Group Method:   4.99E-006  atm-m3/mole  (5.06E-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:  6.049E-005 atm-m3/mole  (6.130E+000 Pa-m3/mole)
      VP:   1.23 mm Hg (source: MPBPVP)
      WS:   3.65E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.61  (KowWin est)
  Log Kaw used:  -2.351  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.961
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7453
   Biowin2 (Non-Linear Model)     :   0.9643
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8644  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7790  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7993
   Biowin6 (MITI Non-Linear Model):   0.8452
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9917
 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):  149 Pa (1.12 mm Hg)
  Log Koa (Koawin est  ): 3.961
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.01E-008 
       Octanol/air (Koa) model:  2.24E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.26E-007 
       Mackay model           :  1.61E-006 
       Octanol/air (Koa) model:  1.8E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.4239 E-12 cm3/molecule-sec
      Half-Life =     7.512 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    90.144 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.17E-006 (Junge-Pankow, Mackay avg)
      1.8E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  19.41  L/kg (MCI method)
      Log Koc:  1.288       (MCI method)
      Koc    :  56.24  L/kg (Kow method)
      Log Koc:  1.750       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.234E-002  L/mol-sec
  Kb Half-Life at pH 8:      86.872  days   
  Kb Half-Life at pH 7:       2.378  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.729 (BCF = 5.356 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.4748 days (HL = 0.03351 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.479 (BCF = 3.016)
   Log BAF Arnot-Gobas method (upper trophic) = 0.479 (BAF = 3.016)
       log Kow used: 1.61 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.99E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      138.3  hours   (5.763 days)
    Half-Life from Model Lake :       1607  hours   (66.95 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.29  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.91  percent
    Total to Air:                0.28  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.82            180          1000       
   Water     34.3            360          1000       
   Soil      59.8            720          1000       
   Sediment  0.0908          3.24e+003    0          
     Persistence Time: 419 hr