CAS Number: 41892-32-4
SMILES : S(=O)(OC)CCC
CHEM   : 1-PROPANESULFINIC ACID, METHYL ESTER
MOL FOR: C4 H10 O2 S1 
MOL WT : 122.18
------------------------------ 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) =  0.15
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  194.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.483  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  64.4  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  7.347e+004
       log Kow used: 0.15 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  78387 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.64E-008  atm-m3/mole  (5.72E-003 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.057E-006 atm-m3/mole  (1.071E-001 Pa-m3/mole)
      VP:   0.483 mm Hg (source: MPBPVP)
      WS:   7.35E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.15  (KowWin est)
  Log Kaw used:  -5.637  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.787
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6894
   Biowin2 (Non-Linear Model)     :   0.7814
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9292  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6715  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4483
   Biowin6 (MITI Non-Linear Model):   0.4741
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7289
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  58.8 Pa (0.441 mm Hg)
  Log Koa (Koawin est  ): 5.787
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.1E-008 
       Octanol/air (Koa) model:  1.5E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.84E-006 
       Mackay model           :  4.08E-006 
       Octanol/air (Koa) model:  1.2E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.3721 E-12 cm3/molecule-sec
      Half-Life =     1.031 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.375 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.96E-006 (Junge-Pankow, Mackay avg)
      1.2E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10.62  L/kg (MCI method)
      Log Koc:  1.026       (MCI method)
      Koc    :  14.77  L/kg (Kow method)
      Log Koc:  1.170       (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) = -1.2659 days (HL = 0.05421 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.002 (BCF = 0.9958)
   Log BAF Arnot-Gobas method (upper trophic) = -0.002 (BAF = 0.9958)
       log Kow used: 0.15 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.64E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.148E+004  hours   (478.2 days)
    Half-Life from Model Lake : 1.253E+005  hours   (5220 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.86  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       0.796           24.7         1000       
   Water     33.2            360          1000       
   Soil      65.9            720          1000       
   Sediment  0.0756          3.24e+003    0          
     Persistence Time: 524 hr