CAS Number: 74595-94-1
SMILES : CC(C)CC1SC(NC(CC(C)C)S1)CC(C)C
CHEM   : 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane
MOL FOR: C15 H31 N1 S2 
MOL WT : 289.54
------------------------------ 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) =  5.64
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  348.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  117.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.79E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00239  (Modified Grain method)
    Subcooled liquid VP: 0.000146 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0195 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.184
       log Kow used: 5.64 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.6756 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.12E-003  atm-m3/mole  (4.18E+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:  3.122E-006 atm-m3/mole  (3.164E-001 Pa-m3/mole)
      VP:   1.79E-005 mm Hg (source: MPBPVP)
      WS:   2.18 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.64  (KowWin est)
  Log Kaw used:  -0.774  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.414
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7635
   Biowin2 (Non-Linear Model)     :   0.5018
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5838  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4733  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0799
   Biowin6 (MITI Non-Linear Model):   0.0045
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2347
 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):  0.0195 Pa (0.000146 mm Hg)
  Log Koa (Koawin est  ): 6.414
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000154 
       Octanol/air (Koa) model:  6.37E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00554 
       Mackay model           :  0.0122 
       Octanol/air (Koa) model:  5.09E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 570.1677 E-12 cm3/molecule-sec
      Half-Life =     0.019 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.507 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00886 (Junge-Pankow, Mackay avg)
      5.09E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.42E+004  L/kg (MCI method)
      Log Koc:  4.534       (MCI method)
      Koc    :  1.003E+004  L/kg (Kow method)
      Log Koc:  4.001       (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 = 3.390 (BCF = 2454 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8686 days (HL = 7.39 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.395 (BCF = 2484)
   Log BAF Arnot-Gobas method (upper trophic) = 3.695 (BAF = 4949)
       log Kow used: 5.64 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00412 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.978  hours
    Half-Life from Model Lake :      164.3  hours   (6.844 days)
 
 Removal In Wastewater Treatment:
    Total removal:              91.23  percent
    Total biodegradation:        0.67  percent
    Total sludge adsorption:    84.51  percent
    Total to Air:                6.04  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0322          0.45         1000       
   Water     7.6             900          1000       
   Soil      78              1.8e+003     1000       
   Sediment  14.4            8.1e+003     0          
     Persistence Time: 1.05e+003 hr