CAS Number: 52945-73-0
SMILES : CCC(C)S
CHEM   : 
MOL FOR: C4 H10 S1 
MOL WT : 90.18
------------------------------ 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) =  2.18
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  92.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -88.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  72.3  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  9.64E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -165 deg C
    BP  (exp database):  84.5 deg C
    VP  (exp database):  8.07E+01 mm Hg (1.08E+004 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1723
       log Kow used: 2.18 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1320 mg/L (20 deg C)
        Exper. Ref:  BEILSTEIN
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1285.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Thiols and Mercaptans
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.11E-003  atm-m3/mole  (6.20E+002 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 7.26E-03  atm-m3/mole  (7.36E+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:  4.979E-003 atm-m3/mole  (5.045E+002 Pa-m3/mole)
      VP:   72.3 mm Hg (source: MPBPVP)
      WS:   1.72E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.18  (KowWin est)
  Log Kaw used:  -0.528  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.708
      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)    :   0.4434
   Biowin6 (MITI Non-Linear Model):   0.5722
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5371
 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):  1.08E+004 Pa (80.7 mm Hg)
  Log Koa (Koawin est  ): 2.708
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.79E-010 
       Octanol/air (Koa) model:  1.25E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.01E-008 
       Mackay model           :  2.23E-008 
       Octanol/air (Koa) model:  1E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  52.5957 E-12 cm3/molecule-sec
      Half-Life =     0.203 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.440 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.62E-008 (Junge-Pankow, Mackay avg)
      1E-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    :  77.92  L/kg (Kow method)
      Log Koc:  1.892       (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 = 1.103 (BCF = 12.67 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7764 days (HL = 0.1673 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.099 (BCF = 12.57)
   Log BAF Arnot-Gobas method (upper trophic) = 1.099 (BAF = 12.57)
       log Kow used: 2.18 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00726 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.046  hours
    Half-Life from Model Lake :      91.03  hours   (3.793 days)
 
 Removal In Wastewater Treatment:
    Total removal:              74.25  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     1.06  percent
    Total to Air:               73.15  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.59            6.42         1000       
   Water     70.6            360          1000       
   Soil      21.5            720          1000       
   Sediment  0.305           3.24e+003    0          
     Persistence Time: 89.1 hr