CAS Number: 999-10-0
SMILES : OCCCC(=O)OCC
CHEM   : Butanoic acid, 4-hydroxy-, ethyl ester
MOL FOR: C6 H12 O3 
MOL WT : 132.16
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  0.38
    Log Kow (Exper. database match) =  0.43
       Exper. Ref:  SANGSTER (1994)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  205.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -3.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0522  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  6.96  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.252e+005
       log Kow used: 0.43 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1966e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.50E-008  atm-m3/mole  (1.52E-003 Pa-m3/mole)
   Group Method:   3.62E-009  atm-m3/mole  (3.67E-004 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:  7.250E-008 atm-m3/mole  (7.346E-003 Pa-m3/mole)
      VP:   0.0522 mm Hg (source: MPBPVP)
      WS:   1.25E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.43  (exp database)
  Log Kaw used:  -6.212  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.642
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0175
   Biowin2 (Non-Linear Model)     :   0.9982
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2073  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0155  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0219
   Biowin6 (MITI Non-Linear Model):   0.9801
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1651
 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):  6.28 Pa (0.0471 mm Hg)
  Log Koa (Koawin est  ): 6.642
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.78E-007 
       Octanol/air (Koa) model:  1.08E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.73E-005 
       Mackay model           :  3.82E-005 
       Octanol/air (Koa) model:  8.61E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.5917 E-12 cm3/molecule-sec
      Half-Life =     1.409 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.907 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.77E-005 (Junge-Pankow, Mackay avg)
      8.61E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.701  L/kg (MCI method)
      Log Koc:  0.231       (MCI method)
      Koc    :  4.852  L/kg (Kow method)
      Log Koc:  0.686       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.266E-002  L/mol-sec
  Kb Half-Life at pH 8:     128.021  days   
  Kb Half-Life at pH 7:       3.505  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.2240 days (HL = 0.00597 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.023 (BCF = 0.9473)
   Log BAF Arnot-Gobas method (upper trophic) = -0.023 (BAF = 0.9473)
       log Kow used: 0.43 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.62E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.859E+005  hours   (7747 days)
    Half-Life from Model Lake : 2.028E+006  hours   (8.452E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0814          33.8         1000       
   Water     37.2            360          1000       
   Soil      62.7            720          1000       
   Sediment  0.0706          3.24e+003    0          
     Persistence Time: 583 hr