CAS Number: 118516-74-8
SMILES : CCCCCCCCCCCCCCCCCC(=O)N(CL)(C)(C)CC(CN(CL)(C)(C)C(=O)CCCCCCCCCCCCCCCC
         C)O
CHEM   : 
MOL FOR: C43 H88 CL2 N2 O3 
MOL WT : 752.10
------------------------------ EPI SUMMARY (v4.11) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.92
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  989.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.12E-030  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.49E-028  (Modified Grain method)
    Subcooled liquid VP: 2.11E-026 mm Hg (25 deg C, Mod-Grain method)
                       : 2.82E-024 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0009971
       log Kow used: 4.92 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.521e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.56E-019  atm-m3/mole  (4.62E-014 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:  4.089E-027 atm-m3/mole  (4.143E-022 Pa-m3/mole)
      VP:   4.12E-030 mm Hg (source: MPBPVP)
      WS:   0.000997 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.92  (KowWin est)
  Log Kaw used:  -16.729  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.649
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7651
   Biowin2 (Non-Linear Model)     :   0.0539
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2938  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4302  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2585
   Biowin6 (MITI Non-Linear Model):   0.0353
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1361
 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):  2.81E-024 Pa (2.11E-026 mm Hg)
  Log Koa (Koawin est  ): 21.649
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.07E+018 
       Octanol/air (Koa) model:  1.09E+009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  86.8953 E-12 cm3/molecule-sec
      Half-Life =     0.123 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.477 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.814E+008  L/kg (MCI method)
      Log Koc:  8.259       (MCI method)
      Koc    :  1250  L/kg (Kow method)
      Log Koc:  3.097       (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 = 1.850 (BCF = 70.79 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1536 days (HL = 1.424 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.741 (BCF = 551)
   Log BAF Arnot-Gobas method (upper trophic) = 2.745 (BAF = 555.8)
       log Kow used: 4.92 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.56E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.521E+015  hours   (1.467E+014 days)
    Half-Life from Model Lake : 3.841E+016  hours   (1.601E+015 days)
 
 Removal In Wastewater Treatment:
    Total removal:              75.01  percent
    Total biodegradation:        0.66  percent
    Total sludge adsorption:    74.35  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       0.0373          2.95         1000       
   Water     1.74            900          1000       
   Soil      29.2            1.8e+003     1000       
   Sediment  69              8.1e+003     0          
     Persistence Time: 3.25e+003 hr