CAS Number: 211184-47-3
SMILES : O=C(N(CC(O)CN(C(=O)CCCCCCCCCCCCCCC)CCO)CCO)CCCCCCCCCCCCCCC
CHEM   : 
MOL FOR: C39 H78 N2 O5 
MOL WT : 655.07
------------------------------ 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) =  9.85
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  785.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  346.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.42E-025  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.55E-023  (Modified Grain method)
    Subcooled liquid VP: 2.95E-021 mm Hg (25 deg C, Mod-Grain method)
                       : 3.93E-019 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.694e-007
       log Kow used: 9.85 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.6368e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.65E-014  atm-m3/mole  (2.68E-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:  2.054E-018 atm-m3/mole  (2.081E-013 Pa-m3/mole)
      VP:   6.42E-025 mm Hg (source: MPBPVP)
      WS:   2.69E-007 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.85  (KowWin est)
  Log Kaw used:  -11.965  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.815
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.5490
   Biowin2 (Non-Linear Model)     :   0.9978
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7197  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.2400  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1303
   Biowin6 (MITI Non-Linear Model):   0.9498
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0218
 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):  3.93E-019 Pa (2.95E-021 mm Hg)
  Log Koa (Koawin est  ): 21.815
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.63E+012 
       Octanol/air (Koa) model:  1.6E+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 = 111.9783 E-12 cm3/molecule-sec
      Half-Life =     0.096 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.146 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    :  6.071E+006  L/kg (MCI method)
      Log Koc:  6.783       (MCI method)
      Koc    :  2.856E+005  L/kg (Kow method)
      Log Koc:  5.456       (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 = 2.130 (BCF = 135 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3747 days (HL = 0.422 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.005 (BCF = 1.011)
   Log BAF Arnot-Gobas method (upper trophic) = 0.024 (BAF = 1.057)
       log Kow used: 9.85 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.65E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.655E+010  hours   (2.356E+009 days)
    Half-Life from Model Lake : 6.169E+011  hours   (2.57E+010 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.0753          2.29         1000       
   Water     13.9            900          1000       
   Soil      72.2            1.8e+003     1000       
   Sediment  13.8            8.1e+003     0          
     Persistence Time: 1.29e+003 hr