CAS Num: 000059-51-8
SMILES : O=C(O)C(N)CCSC
CHEM   : DL-Methionine
MOL FOR: C5 H11 N1 O2 S1 
MOL WT : 149.21
------------------------------ 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) =  -2.41
    Log Kow (Exper. database match) =  -1.87
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  364.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  217.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.84E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.79E-005  (Modified Grain method)
    MP  (exp database):  213 dec deg C
    Subcooled liquid VP: 5.84E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00778 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.574e+004
       log Kow used: -1.87 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3.27e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
     Water Sol (Exper. database match) =  5.66e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  49947 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.11E-011  atm-m3/mole  (2.14E-006 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:  4.454E-012 atm-m3/mole  (4.513E-007 Pa-m3/mole)
      VP:   5.84E-007 mm Hg (source: MPBPVP)
      WS:   2.57E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.87  (exp database)
  Log Kaw used:  -9.064  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.194
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9030
   Biowin2 (Non-Linear Model)     :   0.9336
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2585  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0613  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5313
   Biowin6 (MITI Non-Linear Model):   0.4618
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0067
 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):  0.00779 Pa (5.84E-005 mm Hg)
  Log Koa (Koawin est  ): 7.194
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000385 
       Octanol/air (Koa) model:  3.84E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0137 
       Mackay model           :  0.0299 
       Octanol/air (Koa) model:  0.000307 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.2984 E-12 cm3/molecule-sec
      Half-Life =     0.209 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.502 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0218 (Junge-Pankow, Mackay avg)
      0.000307 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8.742  L/kg (MCI method)
      Log Koc:  0.942       (MCI method)
      Koc    :  0.1258  L/kg (Kow method)
      Log Koc:  -0.900      (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) = -1.6051 days (HL = 0.02482 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8937)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8937)
       log Kow used: -1.87 (expkow database)

 Volatilization from Water:
    Henry LC:  2.11E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.389E+007  hours   (1.412E+006 days)
    Half-Life from Model Lake : 3.698E+008  hours   (1.541E+007 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       0.000712        5            1000       
   Water     28.6            208          1000       
   Soil      71.3            416          1000       
   Sediment  0.059           1.87e+003    0          
     Persistence Time: 412 hr