CAS Number: 53897-57-7
SMILES : CCC1OC(SC(S1)CC)CC
CHEM   : 
MOL FOR: C9 H18 O1 S2 
MOL WT : 206.36
------------------------------ 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) =  3.16
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  271.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  62.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00391  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.521  (Modified Grain method)
    Subcooled liquid VP: 0.00879 mm Hg (25 deg C, Mod-Grain method)
                       : 1.17 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  81.89
       log Kow used: 3.16 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  301.64 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.78E-007  atm-m3/mole  (1.81E-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:  1.296E-005 atm-m3/mole  (1.314E+000 Pa-m3/mole)
      VP:   0.00391 mm Hg (source: MPBPVP)
      WS:   81.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.16  (KowWin est)
  Log Kaw used:  -5.138  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.298
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3019
   Biowin2 (Non-Linear Model)     :   0.0339
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7345  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5403  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2865
   Biowin6 (MITI Non-Linear Model):   0.0704
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5364
 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):  1.17 Pa (0.00879 mm Hg)
  Log Koa (Koawin est  ): 8.298
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.56E-006 
       Octanol/air (Koa) model:  4.88E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.24E-005 
       Mackay model           :  0.000205 
       Octanol/air (Koa) model:  0.00389 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 379.5955 E-12 cm3/molecule-sec
      Half-Life =     0.028 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.288 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000149 (Junge-Pankow, Mackay avg)
      0.00389 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  561.6  L/kg (MCI method)
      Log Koc:  2.749       (MCI method)
      Koc    :  382.3  L/kg (Kow method)
      Log Koc:  2.582       (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 = 1.749 (BCF = 56.13 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2739 days (HL = 0.5322 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.953 (BCF = 89.69)
   Log BAF Arnot-Gobas method (upper trophic) = 1.953 (BAF = 89.7)
       log Kow used: 3.16 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.78E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       4727  hours   (196.9 days)
    Half-Life from Model Lake : 5.168E+004  hours   (2153 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.31  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.17  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0309          0.676        1000       
   Water     19              900          1000       
   Soil      80.4            1.8e+003     1000       
   Sediment  0.589           8.1e+003     0          
     Persistence Time: 1.03e+003 hr