CAS Number: 132344-97-9
SMILES : CCCCC1SC(N2CC=CC2S1)C
CHEM   : 
MOL FOR: C11 H19 N1 S2 
MOL WT : 229.40
------------------------------ 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) =  3.29
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  309.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  97.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000234  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0313  (Modified Grain method)
    Subcooled liquid VP: 0.00119 mm Hg (25 deg C, Mod-Grain method)
                       : 0.158 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  483
       log Kow used: 3.29 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  299.51 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.51E-004  atm-m3/mole  (8.63E+001 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:  1.462E-007 atm-m3/mole  (1.482E-002 Pa-m3/mole)
      VP:   0.000234 mm Hg (source: MPBPVP)
      WS:   483 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.29  (KowWin est)
  Log Kaw used:  -1.459  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.749
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5415
   Biowin2 (Non-Linear Model)     :   0.3480
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7358  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4978  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1633
   Biowin6 (MITI Non-Linear Model):   0.0240
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7864
 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):  0.159 Pa (0.00119 mm Hg)
  Log Koa (Koawin est  ): 4.749
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.89E-005 
       Octanol/air (Koa) model:  1.38E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000682 
       Mackay model           :  0.00151 
       Octanol/air (Koa) model:  1.1E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 451.6383 E-12 cm3/molecule-sec
      Half-Life =     0.024 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.052 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec
      Half-Life =     0.057 Days (at 7E11 mol/cm3)
      Half-Life =      1.375 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0011 (Junge-Pankow, Mackay avg)
      1.1E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3244  L/kg (MCI method)
      Log Koc:  3.511       (MCI method)
      Koc    :  478.1  L/kg (Kow method)
      Log Koc:  2.680       (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 = 1.838 (BCF = 68.94 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3204 days (HL = 0.4781 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.006 (BCF = 101.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.006 (BAF = 101.4)
       log Kow used: 3.29 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000851 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.588  hours
    Half-Life from Model Lake :      155.2  hours   (6.468 days)
 
 Removal In Wastewater Treatment:
    Total removal:              32.30  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     7.76  percent
    Total to Air:               24.42  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0357          0.402        1000       
   Water     10.3            900          1000       
   Soil      87.8            1.8e+003     1000       
   Sediment  1.91            8.1e+003     0          
     Persistence Time: 877 hr