CAS Num: 004104-45-4
SMILES : S(CCCN)C
CHEM   : 1-Propanamine, 3-(methylthio)-
MOL FOR: C4 H11 N1 S1 
MOL WT : 105.20
------------------------------ 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) =  0.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  154.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -22.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.31  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  441  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.928e+005
       log Kow used: 0.43 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.6042e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.42E-007  atm-m3/mole  (1.44E-002 Pa-m3/mole)
   Group Method:   5.73E-008  atm-m3/mole  (5.81E-003 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:  9.297E-007 atm-m3/mole  (9.421E-002 Pa-m3/mole)
      VP:   3.31 mm Hg (source: MPBPVP)
      WS:   4.93E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.43  (KowWin est)
  Log Kaw used:  -5.236  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.666
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8513
   Biowin2 (Non-Linear Model)     :   0.9324
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9911  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7392  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5811
   Biowin6 (MITI Non-Linear Model):   0.6253
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0118
 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):  403 Pa (3.02 mm Hg)
  Log Koa (Koawin est  ): 5.666
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.45E-009 
       Octanol/air (Koa) model:  1.14E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.69E-007 
       Mackay model           :  5.96E-007 
       Octanol/air (Koa) model:  9.1E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  44.8187 E-12 cm3/molecule-sec
      Half-Life =     0.239 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.864 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      4.33E-007 (Junge-Pankow, Mackay avg)
      9.1E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  80.58  L/kg (MCI method)
      Log Koc:  1.906       (MCI method)
      Koc    :  13.84  L/kg (Kow method)
      Log Koc:  1.141       (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) = -0.9502 days (HL = 0.1122 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.052 (BCF = 1.127)
   Log BAF Arnot-Gobas method (upper trophic) = 0.052 (BAF = 1.127)
       log Kow used: 0.43 (estimated)

 Volatilization from Water:
    Henry LC:  5.73E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.048E+004  hours   (436.7 days)
    Half-Life from Model Lake : 1.144E+005  hours   (4768 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  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       0.375           5.73         1000       
   Water     25.7            360          1000       
   Soil      73.8            720          1000       
   Sediment  0.131           3.24e+003    0          
     Persistence Time: 512 hr