CAS Number: 137-26-8
SMILES : N(C(=S)SSC(N(C)C)=S)(C)C
CHEM   : Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetramethyl-
MOL FOR: C6 H12 N2 S4 
MOL WT : 240.42
------------------------------ 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) =  1.70
    Log Kow (Exper. database match) =  1.73
       Exper. Ref:  TOMLIN,C (2003)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  339.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  107.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.09E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00145  (Modified Grain method)
    MP  (exp database):  155.6 deg C
    BP  (exp database):  129 @ 20 mm Hg deg C
    VP  (exp database):  1.73E-05 mm Hg (2.31E-003 Pa) at 25 deg C
    Subcooled liquid VP: 0.000339 mm Hg (25 deg C, exp database VP )
                       : 0.0451 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  9064
       log Kow used: 1.73 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  30 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & HE,Y (2003)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Thiocarbamate, Di(Substit)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.68E-005  atm-m3/mole  (2.71E+000 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.82E-07  atm-m3/mole  (1.84E-002 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  3.804E-010 atm-m3/mole  (3.855E-005 Pa-m3/mole)
      VP:   1.09E-005 mm Hg (source: MPBPVP)
      WS:   9.06E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.73  (exp database)
  Log Kaw used:  -5.128  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.858
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6331
   Biowin2 (Non-Linear Model)     :   0.4001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6679  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5009  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0015
   Biowin6 (MITI Non-Linear Model):   0.0129
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5178
 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):  0.0452 Pa (0.000339 mm Hg)
  Log Koa (Koawin est  ): 6.858
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.64E-005 
       Octanol/air (Koa) model:  1.77E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00239 
       Mackay model           :  0.00528 
       Octanol/air (Koa) model:  0.000142 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 362.0592 E-12 cm3/molecule-sec
      Half-Life =     0.030 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.270 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00384 (Junge-Pankow, Mackay avg)
      0.000142 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  611.4  L/kg (MCI method)
      Log Koc:  2.786       (MCI method)
      Koc    :  1175  L/kg (Kow method)
      Log Koc:  3.070       (Kow method)
       Experimental Log Koc:  2.83  (database)
 
 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 = 0.808 (BCF = 6.434 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6415 days (HL = 0.2283 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.654 (BCF = 4.513)
   Log BAF Arnot-Gobas method (upper trophic) = 0.654 (BAF = 4.513)
       log Kow used: 1.73 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.82E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       4990  hours   (207.9 days)
    Half-Life from Model Lake : 5.456E+004  hours   (2273 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.07  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.97  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       0.0323          0.709        1000       
   Water     18.9            900          1000       
   Soil      80.4            1.8e+003     1000       
   Sediment  0.637           8.1e+003     0          
     Persistence Time: 1.04e+003 hr