CAS Num: 000628-29-5
SMILES : S(CCCC)C
CHEM   : Butane, 1-(methylthio)-
MOL FOR: C5 H12 S1 
MOL WT : 104.21
------------------------------ 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) =  2.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  116.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -69.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  13.4  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.79E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -97.8 deg C
    BP  (exp database):  123.5 deg C
    VP  (exp database):  1.56E+01 mm Hg (2.08E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1028
       log Kow used: 2.39 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  820.87 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.84E-003  atm-m3/mole  (1.86E+002 Pa-m3/mole)
   Group Method:   3.97E-003  atm-m3/mole  (4.02E+002 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:  1.787E-003 atm-m3/mole  (1.811E+002 Pa-m3/mole)
      VP:   13.4 mm Hg (source: MPBPVP)
      WS:   1.03E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.39  (KowWin est)
  Log Kaw used:  -1.124  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.514
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8064
   Biowin2 (Non-Linear Model)     :   0.9668
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2672  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9665  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5512
   Biowin6 (MITI Non-Linear Model):   0.6994
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4372
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5616
     BioHC Half-Life (days)     :   3.6442

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.08E+003 Pa (15.6 mm Hg)
  Log Koa (Koawin est  ): 3.514
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.44E-009 
       Octanol/air (Koa) model:  8.02E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.21E-008 
       Mackay model           :  1.15E-007 
       Octanol/air (Koa) model:  6.41E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.4507 E-12 cm3/molecule-sec
      Half-Life =     0.740 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.882 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      8.37E-008 (Junge-Pankow, Mackay avg)
      6.41E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  131.5  L/kg (MCI method)
      Log Koc:  2.119       (MCI method)
      Koc    :  118.5  L/kg (Kow method)
      Log Koc:  2.074       (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 = 1.246 (BCF = 17.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4721 days (HL = 0.3372 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.340 (BCF = 21.88)
   Log BAF Arnot-Gobas method (upper trophic) = 1.340 (BAF = 21.88)
       log Kow used: 2.39 (estimated)

 Volatilization from Water:
    Henry LC:  0.00397 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.192  hours
    Half-Life from Model Lake :       98.6  hours   (4.108 days)

 Removal In Wastewater Treatment:
    Total removal:              61.74  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     1.56  percent
    Total to Air:               60.12  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       12.1            17.8         1000       
   Water     43.1            208          1000       
   Soil      44.6            416          1000       
   Sediment  0.256           1.87e+003    0          
     Persistence Time: 117 hr