CAS Number: 110-06-5
SMILES : S(SC(C)(C)C)C(C)(C)C
CHEM   : Disulfide, bis(1,1-dimethylethyl)
MOL FOR: C8 H18 S2 
MOL WT : 178.35
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  4.60
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  200.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.353  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  47  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -5 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  6.644
       log Kow used: 4.60 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19.724 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.64E-003  atm-m3/mole  (6.73E+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:  1.247E-002 atm-m3/mole  (1.263E+003 Pa-m3/mole)
      VP:   0.353 mm Hg (source: MPBPVP)
      WS:   6.64 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.60  (KowWin est)
  Log Kaw used:  -0.566  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.166
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2948
   Biowin2 (Non-Linear Model)     :   0.0488
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3808  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2835  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3192
   Biowin6 (MITI Non-Linear Model):   0.1533
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3098
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.3903
     BioHC Half-Life (days)     :  24.5643
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  43.1 Pa (0.323 mm Hg)
  Log Koa (Koawin est  ): 5.166
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.97E-008 
       Octanol/air (Koa) model:  3.6E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.52E-006 
       Mackay model           :  5.57E-006 
       Octanol/air (Koa) model:  2.88E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 226.0037 E-12 cm3/molecule-sec
      Half-Life =     0.047 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.568 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.04E-006 (Junge-Pankow, Mackay avg)
      2.88E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  620.8  L/kg (MCI method)
      Log Koc:  2.793       (MCI method)
      Koc    :  9816  L/kg (Kow method)
      Log Koc:  3.992       (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 = 1.360 (BCF = 22.92 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2924 days (HL = 1.961 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.832 (BCF = 679.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.836 (BAF = 684.7)
       log Kow used: 4.60 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00664 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.481  hours
    Half-Life from Model Lake :      128.1  hours   (5.339 days)
 
 Removal In Wastewater Treatment:
    Total removal:              83.80  percent
    Total biodegradation:        0.30  percent
    Total sludge adsorption:    46.62  percent
    Total to Air:               36.88  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.73            6.26         1000       
   Water     33.1            900          1000       
   Soil      63              1.8e+003     1000       
   Sediment  1.13            8.1e+003     0          
     Persistence Time: 243 hr