CAS Num: 000646-01-5
SMILES : S(C)CCC(=O)O
CHEM   : PROPANOIC ACID, 3-(METHYLTHIO)-
MOL FOR: C4 H8 O2 S1 
MOL WT : 120.17
------------------------------ 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) =  0.66

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  224.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  37.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0764  (Modified Grain method)
    VP (Pa, 25 deg C) :  10.2  (Modified Grain method)
    Subcooled liquid VP: 0.098 mm Hg (25 deg C, Mod-Grain method)
                       : 13.1 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.737e+004
       log Kow used: 0.66 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0357e+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 :   7.76E-009  atm-m3/mole  (7.86E-004 Pa-m3/mole)
   Group Method:   1.94E-009  atm-m3/mole  (1.97E-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:  1.793E-007 atm-m3/mole  (1.817E-002 Pa-m3/mole)
      VP:   0.0764 mm Hg (source: MPBPVP)
      WS:   6.74E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.66  (KowWin est)
  Log Kaw used:  -6.499  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.159
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7630
   Biowin2 (Non-Linear Model)     :   0.8749
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2982  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0599  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6350
   Biowin6 (MITI Non-Linear Model):   0.7445
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9953
 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):  13.1 Pa (0.098 mm Hg)
  Log Koa (Koawin est  ): 7.159
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.3E-007 
       Octanol/air (Koa) model:  3.54E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.29E-006 
       Mackay model           :  1.84E-005 
       Octanol/air (Koa) model:  0.000283 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.1032 E-12 cm3/molecule-sec
      Half-Life =     0.816 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.795 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.33E-005 (Junge-Pankow, Mackay avg)
      0.000283 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.782  L/kg (MCI method)
      Log Koc:  0.680       (MCI method)
      Koc    :  3.317  L/kg (Kow method)
      Log Koc:  0.521       (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) = -0.9672 days (HL = 0.1078 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.111 (BCF = 1.291)
   Log BAF Arnot-Gobas method (upper trophic) = 0.111 (BAF = 1.291)
       log Kow used: 0.66 (estimated)

 Volatilization from Water:
    Henry LC:  1.94E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 3.308E+005  hours   (1.378E+004 days)
    Half-Life from Model Lake : 3.609E+006  hours   (1.504E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.87  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       0.0642          19.6         1000       
   Water     30.8            208          1000       
   Soil      69              416          1000       
   Sediment  0.0589          1.87e+003    0          
     Persistence Time: 398 hr