CAS Num: 043040-01-3
SMILES : S(CCSS1)C1C
CHEM   : 1,2,4-Trithiane, 3-methyl-
MOL FOR: C4 H8 S3 
MOL WT : 152.29
------------------------------ 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) =  2.27

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  219.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  36.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0988  (Modified Grain method)
    VP (Pa, 25 deg C) :  13.2  (Modified Grain method)
    Subcooled liquid VP: 0.125 mm Hg (25 deg C, Mod-Grain method)
                       : 16.6 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  862.2
       log Kow used: 2.27 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  498.88 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.58E-006  atm-m3/mole  (7.68E-001 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:  2.296E-005 atm-m3/mole  (2.327E+000 Pa-m3/mole)
      VP:   0.0988 mm Hg (source: MPBPVP)
      WS:   862 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.27  (KowWin est)
  Log Kaw used:  -3.509  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.779
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6750
   Biowin2 (Non-Linear Model)     :   0.6998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8626  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6280  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3114
   Biowin6 (MITI Non-Linear Model):   0.1813
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5559
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.3776
     BioHC Half-Life (days)     :  23.8580

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  16.7 Pa (0.125 mm Hg)
  Log Koa (Koawin est  ): 5.779
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.8E-007 
       Octanol/air (Koa) model:  1.48E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.5E-006 
       Mackay model           :  1.44E-005 
       Octanol/air (Koa) model:  1.18E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 362.8185 E-12 cm3/molecule-sec
      Half-Life =     0.029 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.226 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.05E-005 (Junge-Pankow, Mackay avg)
      1.18E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  233.9  L/kg (MCI method)
      Log Koc:  2.369       (MCI method)
      Koc    :  93.27  L/kg (Kow method)
      Log Koc:  1.970       (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 = 1.162 (BCF = 14.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7812 days (HL = 0.1655 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.166 (BCF = 14.67)
   Log BAF Arnot-Gobas method (upper trophic) = 1.166 (BAF = 14.67)
       log Kow used: 2.27 (estimated)

 Volatilization from Water:
    Henry LC:  7.58E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      96.58  hours   (4.024 days)
    Half-Life from Model Lake :       1157  hours   (48.21 days)

 Removal In Wastewater Treatment:
    Total removal:               3.00  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.48  percent
    Total to Air:                0.42  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0787          0.708        1000       
   Water     26              360          1000       
   Soil      73.6            720          1000       
   Sediment  0.279           3.24e+003    0          
     Persistence Time: 445 hr