CAS Num: 000110-15-6
SMILES : O=C(O)CCC(=O)O
CHEM   : Butanedioic acid
MOL FOR: C4 H6 O4 
MOL WT : 118.09
------------------------------ 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) =  -0.75
    Log Kow (Exper. database match) =  -0.59
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  280.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  83.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000108  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0144  (Modified Grain method)
    MP  (exp database):  188 deg C
    BP  (exp database):  235 dec deg C
    VP  (exp database):  1.91E-07 mm Hg (2.55E-005 Pa) at 25 deg C
    Subcooled liquid VP: 7.82E-006 mm Hg (25 deg C, exp database VP )
                       : 0.00104 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.079e+005
       log Kow used: -0.59 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  8.32e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & HE,Y (2003)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.0519e+005 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 :   5.41E-012  atm-m3/mole  (5.48E-007 Pa-m3/mole)
   Group Method:   4.06E-013  atm-m3/mole  (4.11E-008 Pa-m3/mole)
   Exper Database: 3.57E-13  atm-m3/mole  (3.62E-008 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:  2.077E-011 atm-m3/mole  (2.105E-006 Pa-m3/mole)
      VP:   0.000108 mm Hg (source: MPBPVP)
      WS:   8.08E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.59  (exp database)
  Log Kaw used:  -10.836  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  10.246
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8367
   Biowin2 (Non-Linear Model)     :   0.9320
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.6674  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.4485  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8220
   Biowin6 (MITI Non-Linear Model):   0.9042
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2616
 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):  0.00104 Pa (7.82E-006 mm Hg)
  Log Koa (Koawin est  ): 10.246
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00288 
       Octanol/air (Koa) model:  0.00433 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0941 
       Mackay model           :  0.187 
       Octanol/air (Koa) model:  0.257 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.7632 E-12 cm3/molecule-sec
      Half-Life =     3.871 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    46.450 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.141 (Junge-Pankow, Mackay avg)
      0.257 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7.33  L/kg (MCI method)
      Log Koc:  0.865       (MCI method)
      Koc    :  0.6751  L/kg (Kow method)
      Log Koc:  -0.171      (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 v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2122 days (HL = 0.06134 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.040 (BCF = 0.9125)
   Log BAF Arnot-Gobas method (upper trophic) = -0.040 (BAF = 0.9125)
       log Kow used: -0.59 (expkow database)

 Volatilization from Water:
    Henry LC:  3.57E-013 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.782E+009  hours   (7.426E+007 days)
    Half-Life from Model Lake : 1.944E+010  hours   (8.101E+008 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       1.19e-005       92.9         1000       
   Water     29.3            208          1000       
   Soil      70.7            416          1000       
   Sediment  0.0587          1.87e+003    0          
     Persistence Time: 409 hr