CAS Num: 000828-26-2
SMILES : S(C(SC(S1)(C)C)(C)C)C1(C)C
CHEM   : 1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-
MOL FOR: C9 H18 S3 
MOL WT : 222.42
------------------------------ 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) =  7.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  269.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  88.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00235  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.314  (Modified Grain method)
    Subcooled liquid VP: 0.00953 mm Hg (25 deg C, Mod-Grain method)
                       : 1.27 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.01091
       log Kow used: 7.60 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.6447 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.63E-007  atm-m3/mole  (1.65E-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:  6.304E-002 atm-m3/mole  (6.387E+003 Pa-m3/mole)
      VP:   0.00235 mm Hg (source: MPBPVP)
      WS:   0.0109 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.60  (KowWin est)
  Log Kaw used:  -5.176  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.776
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0899
   Biowin2 (Non-Linear Model)     :   0.0049
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0713  (months      )
   Biowin4 (Primary Survey Model) :   3.0665  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2557
   Biowin6 (MITI Non-Linear Model):   0.0703
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6440
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.7120
     BioHC Half-Life (days)     : 515.2482

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.27 Pa (0.00953 mm Hg)
  Log Koa (Koawin est  ): 12.776
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.36E-006 
       Octanol/air (Koa) model:  1.47 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.53E-005 
       Mackay model           :  0.000189 
       Octanol/air (Koa) model:  0.992 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.1037 E-12 cm3/molecule-sec
      Half-Life =     1.752 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.029 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000137 (Junge-Pankow, Mackay avg)
      0.992 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1860  L/kg (MCI method)
      Log Koc:  3.270       (MCI method)
      Koc    :  3.941E+006  L/kg (Kow method)
      Log Koc:  6.596       (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 = 3.832 (BCF = 6798 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8022 days (HL = 6.342 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.438 (BCF = 274)
   Log BAF Arnot-Gobas method (upper trophic) = 3.989 (BAF = 9760)
       log Kow used: 7.60 (estimated)

 Volatilization from Water:
    Henry LC:  1.63E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       5358  hours   (223.3 days)
    Half-Life from Model Lake : 5.858E+004  hours   (2441 days)

 Removal In Wastewater Treatment:
    Total removal:              93.99  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.21  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.377           42           1000       
   Water     11.7            1.44e+003    1000       
   Soil      87.4            2.88e+003    1000       
   Sediment  0.501           1.3e+004     0          
     Persistence Time: 2.07e+003 hr