CAS Number: 95936-66-6
SMILES : CC1CC(C)SS1
CHEM   : 3,5-dimethyl-1,2-dithiolane
MOL FOR: C5 H10 S2 
MOL WT : 134.26
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  3.09
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  176.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.12  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  150  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  204.2
       log Kow used: 3.09 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  167.33 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.25E-003  atm-m3/mole  (1.27E+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:  9.689E-004 atm-m3/mole  (9.818E+001 Pa-m3/mole)
      VP:   1.12 mm Hg (source: MPBPVP)
      WS:   204 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.09  (KowWin est)
  Log Kaw used:  -1.292  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.382
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6836
   Biowin2 (Non-Linear Model)     :   0.7507
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9025  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6540  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3582
   Biowin6 (MITI Non-Linear Model):   0.2086
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6358
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.9592
     BioHC Half-Life (days)     :   9.1033
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  136 Pa (1.02 mm Hg)
  Log Koa (Koawin est  ): 4.382
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.21E-008 
       Octanol/air (Koa) model:  5.92E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.97E-007 
       Mackay model           :  1.76E-006 
       Octanol/air (Koa) model:  4.73E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 250.0627 E-12 cm3/molecule-sec
      Half-Life =     0.043 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.513 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.28E-006 (Junge-Pankow, Mackay avg)
      4.73E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  205.9  L/kg (MCI method)
      Log Koc:  2.314       (MCI method)
      Koc    :  480.2  L/kg (Kow method)
      Log Koc:  2.681       (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 = 1.704 (BCF = 50.57 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3208 days (HL = 0.4777 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.892 (BCF = 77.97)
   Log BAF Arnot-Gobas method (upper trophic) = 1.892 (BAF = 77.98)
       log Kow used: 3.09 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00125 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.725  hours
    Half-Life from Model Lake :        116  hours   (4.832 days)
 
 Removal In Wastewater Treatment:
    Total removal:              37.61  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     5.26  percent
    Total to Air:               32.26  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.394           1.03         1000       
   Water     28.7            360          1000       
   Soil      70.6            720          1000       
   Sediment  0.28            3.24e+003    0          
     Persistence Time: 237 hr