CAS Number: 1069-29-0
SMILES : COC(=O)C(CSSCC(C(=O)OC)N)N
CHEM   : 
MOL FOR: C8 H16 N2 O4 S2 
MOL WT : 268.35
------------------------------ 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) =  -1.15
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  344.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  77.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.61E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00748  (Modified Grain method)
    Subcooled liquid VP: 0.000176 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0234 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -1.15 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.11E-014  atm-m3/mole  (5.17E-009 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:  1.981E-011 atm-m3/mole  (2.007E-006 Pa-m3/mole)
      VP:   5.61E-005 mm Hg (source: MPBPVP)
      WS:   1E+006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.15  (KowWin est)
  Log Kaw used:  -11.680  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.530
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2758
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9355  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0051  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6662
   Biowin6 (MITI Non-Linear Model):   0.4503
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0955
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0235 Pa (0.000176 mm Hg)
  Log Koa (Koawin est  ): 10.530
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000128 
       Octanol/air (Koa) model:  0.00832 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0046 
       Mackay model           :  0.0101 
       Octanol/air (Koa) model:  0.4 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 299.1156 E-12 cm3/molecule-sec
      Half-Life =     0.036 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    25.746 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00736 (Junge-Pankow, Mackay avg)
      0.4 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  31.79  L/kg (MCI method)
      Log Koc:  1.502       (MCI method)
      Koc    :  1.301  L/kg (Kow method)
      Log Koc:  0.114       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.256E-002  L/mol-sec
  Kb Half-Life at pH 8:      86.667  days   
  Kb Half-Life at pH 7:       2.373  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.1308 days (HL = 0.0007399 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8944)
   Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8944)
       log Kow used: -1.15 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.11E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.877E+010  hours   (7.82E+008 days)
    Half-Life from Model Lake : 2.048E+011  hours   (8.531E+009 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       1e-006          0.858        1000       
   Water     24.1            360          1000       
   Soil      75.8            720          1000       
   Sediment  0.0759          3.24e+003    0          
     Persistence Time: 697 hr