CAS Number: 68298-17-9
SMILES : O([Na])C(=O)CN(CCO)CCNC(=O)CCCCCCCCCCCCCCCCC
CHEM   : Glycine, N-(2-hydroxyethyl)-N-[2-[(1-oxooctadecyl)amino]ethyl]-, mono
         sodium salt
MOL FOR: C24 H47 N2 O4 Na1 
MOL WT : 450.64
------------------------------ EPI SUMMARY (v4.10) --------------------------
    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) =  1.33
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  798.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.09E-023  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.46E-021  (Modified Grain method)
    Subcooled liquid VP: 5.6E-020 mm Hg (25 deg C, Mod-Grain method)
                       : 7.47E-018 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  108.4
       log Kow used: 1.33 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.1816 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.09E-017  atm-m3/mole  (1.10E-012 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:  5.962E-026 atm-m3/mole  (6.041E-021 Pa-m3/mole)
      VP:   1.09E-023 mm Hg (source: MPBPVP)
      WS:   108 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.33  (KowWin est)
  Log Kaw used:  -15.351  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.681
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8882
   Biowin2 (Non-Linear Model)     :   0.7300
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7658  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9308  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8591
   Biowin6 (MITI Non-Linear Model):   0.7981
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3386
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.47E-018 Pa (5.6E-020 mm Hg)
  Log Koa (Koawin est  ): 16.681
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.02E+011 
       Octanol/air (Koa) model:  1.18E+004 
   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 = 129.4595 E-12 cm3/molecule-sec
      Half-Life =     0.083 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.991 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    :  2439  L/kg (MCI method)
      Log Koc:  3.387       (MCI method)
      Koc    :  2.449  L/kg (Kow method)
      Log Koc:  0.389       (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) = -2.0807 days (HL = 0.008304 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.098 (BCF = 12.53)
   Log BAF Arnot-Gobas method (upper trophic) = 1.098 (BAF = 12.53)
       log Kow used: 4.11 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.09E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  1.14E+014  hours   (4.751E+012 days)
    Half-Life from Model Lake : 1.244E+015  hours   (5.183E+013 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.93  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.84  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       0.174           1.98         1000       
   Water     23.2            360          1000       
   Soil      74.8            720          1000       
   Sediment  1.83            3.24e+003    0          
     Persistence Time: 493 hr