CAS Number: 7779-27-3
SMILES : N(CN(CN1CC)CC)(C1)CC
CHEM   : 1,3,5-Triazine, 1,3,5-triethylhexahydro-
MOL FOR: C9 H21 N3 
MOL WT : 171.29
------------------------------ 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) =  -0.68
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  229.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  51.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0858  (Modified Grain method)
    VP (Pa, 25 deg C) :  11.4  (Modified Grain method)
    MP  (exp database):  70 deg C
    BP  (exp database):  207.5 deg C
    Subcooled liquid VP: 0.228 mm Hg (25 deg C, Mod-Grain method)
                       : 30.4 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: -0.68 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aliphatic Amines
       Triazines, Aliphatic 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.21E-004  atm-m3/mole  (2.24E+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:  1.934E-008 atm-m3/mole  (1.959E-003 Pa-m3/mole)
      VP:   0.0858 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:  -0.68  (KowWin est)
  Log Kaw used:  -2.044  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.364
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0502
   Biowin2 (Non-Linear Model)     :   0.0023
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0562  (months      )
   Biowin4 (Primary Survey Model) :   2.7366  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1567
   Biowin6 (MITI Non-Linear Model):   0.0531
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.9093
 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):  30.4 Pa (0.228 mm Hg)
  Log Koa (Koawin est  ): 1.364
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.87E-008 
       Octanol/air (Koa) model:  5.68E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.56E-006 
       Mackay model           :  7.89E-006 
       Octanol/air (Koa) model:  4.54E-010 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 466.9054 E-12 cm3/molecule-sec
      Half-Life =     0.023 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.494 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.73E-006 (Junge-Pankow, Mackay avg)
      4.54E-010 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  50.87  L/kg (MCI method)
      Log Koc:  1.706       (MCI method)
      Koc    :  2.254  L/kg (Kow method)
      Log Koc:  0.353       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.4373 days (HL = 0.0003654 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8971)
   Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8971)
       log Kow used: -0.68 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000221 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.803  hours
    Half-Life from Model Lake :      162.1  hours   (6.756 days)
 
 Removal In Wastewater Treatment:
    Total removal:              11.27  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.61  percent
    Total to Air:                9.57  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.118           0.55         1000       
   Water     30.8            1.44e+003    1000       
   Soil      68.9            2.88e+003    1000       
   Sediment  0.137           1.3e+004     0          
     Persistence Time: 470 hr