CAS Number: 1551-21-9
SMILES : S(C)C(C)C
CHEM   : PROPANE, 2-(METHYLTHIO)-
MOL FOR: C4 H10 S1 
MOL WT : 90.18
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  1.83
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  78.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -93.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  71.4  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  9.52E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -101.5 deg C
    BP  (exp database):  84.8 deg C
    VP  (exp database):  8.00E+01 mm Hg (1.07E+004 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3417
       log Kow used: 1.83 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4099.7 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.38E-003  atm-m3/mole  (1.40E+002 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:  2.479E-003 atm-m3/mole  (2.512E+002 Pa-m3/mole)
      VP:   71.4 mm Hg (source: MPBPVP)
      WS:   3.42E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.83  (KowWin est)
  Log Kaw used:  -1.249  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.079
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7046
   Biowin2 (Non-Linear Model)     :   0.8492
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9999  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7176  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3944
   Biowin6 (MITI Non-Linear Model):   0.4702
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4315
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5565
     BioHC Half-Life (days)     :   3.6017
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.07E+004 Pa (80 mm Hg)
  Log Koa (Koawin est  ): 3.079
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.81E-010 
       Octanol/air (Koa) model:  2.94E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.02E-008 
       Mackay model           :  2.25E-008 
       Octanol/air (Koa) model:  2.36E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.2274 E-12 cm3/molecule-sec
      Half-Life =     0.587 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.042 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.63E-008 (Junge-Pankow, Mackay avg)
      2.36E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  60.7  L/kg (MCI method)
      Log Koc:  1.783       (MCI method)
      Koc    :  38.71  L/kg (Kow method)
      Log Koc:  1.588       (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 = 0.873 (BCF = 7.464 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6625 days (HL = 0.2175 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.841 (BCF = 6.927)
   Log BAF Arnot-Gobas method (upper trophic) = 0.841 (BAF = 6.927)
       log Kow used: 1.83 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00138 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.372  hours
    Half-Life from Model Lake :      94.59  hours   (3.941 days)
 
 Removal In Wastewater Treatment:
    Total removal:              37.36  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.44  percent
    Total to Air:               35.85  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.74            14.1         1000       
   Water     43.2            360          1000       
   Soil      48.9            720          1000       
   Sediment  0.187           3.24e+003    0          
     Persistence Time: 158 hr