CAS Number: 79-14-1
SMILES : O=C(O)CO
CHEM   : Acetic acid, hydroxy-
MOL FOR: C2 H4 O3 
MOL WT : 76.05
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  -1.07
    Log Kow (Exper. database match) =  -1.11
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  202.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  23.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.017  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.27  (Modified Grain method)
    MP  (exp database):  79.5 deg C
    VP  (exp database):  2.00E-02 mm Hg (2.67E+000 Pa) at 25 deg C
    Subcooled liquid VP: 0.0692 mm Hg (25 deg C, exp database VP )
                       : 9.22 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -1.11 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.54E-008  atm-m3/mole  (8.66E-003 Pa-m3/mole)
   Group Method:   6.29E-011  atm-m3/mole  (6.37E-006 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:  1.701E-009 atm-m3/mole  (1.724E-004 Pa-m3/mole)
      VP:   0.017 mm Hg (source: MPBPVP)
      WS:   1E+006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.11  (exp database)
  Log Kaw used:  -5.457  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.347
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9428
   Biowin2 (Non-Linear Model)     :   0.9756
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5557  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2530  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8776
   Biowin6 (MITI Non-Linear Model):   0.9478
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1816
 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):  9.23 Pa (0.0692 mm Hg)
  Log Koa (Koawin est  ): 4.347
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.25E-007 
       Octanol/air (Koa) model:  5.46E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.17E-005 
       Mackay model           :  2.6E-005 
       Octanol/air (Koa) model:  4.37E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.1118 E-12 cm3/molecule-sec
      Half-Life =     3.437 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    41.247 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.89E-005 (Junge-Pankow, Mackay avg)
      4.37E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1  L/kg (MCI method)
      Log Koc:  0.000       (MCI method)
      Koc    :  0.135  L/kg (Kow method)
      Log Koc:  -0.870      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.7303 days (HL = 0.01861 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8965)
   Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8965)
       log Kow used: -1.11 (expkow database)
 
 Volatilization from Water:
    Henry LC:  8.54E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       5980  hours   (249.1 days)
    Half-Life from Model Lake :  6.53E+004  hours   (2721 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       2.14            82.5         1000       
   Water     35.6            208          1000       
   Soil      62.2            416          1000       
   Sediment  0.063           1.87e+003    0          
     Persistence Time: 337 hr