CAS Number: 66161-62-4
SMILES : O([Na])C(=O)CN(CCO)CCNC(=O)CCCCCCCCCCC
CHEM   : Glycine, N-(2-hydroxyethyl)-N-[2-[(1-oxododecyl)amino]ethyl]-, monoso
         dium salt
MOL FOR: C18 H35 N2 O4 Na1 
MOL WT : 366.48
------------------------------ 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) =  -1.62
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  728.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  319.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.18E-021  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.9E-019  (Modified Grain method)
    Subcooled liquid VP: 1.08E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 1.44E-015 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5810
       log Kow used: -1.62 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2958.7 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 :   1.99E-018  atm-m3/mole  (2.01E-013 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:  4.299E-025 atm-m3/mole  (4.356E-020 Pa-m3/mole)
      VP:   5.18E-021 mm Hg (source: MPBPVP)
      WS:   5.81E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.62  (KowWin est)
  Log Kaw used:  -16.090  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.470
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9283
   Biowin2 (Non-Linear Model)     :   0.8993
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9518  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0522  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8130
   Biowin6 (MITI Non-Linear Model):   0.7733
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4946
 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):  1.44E-015 Pa (1.08E-017 mm Hg)
  Log Koa (Koawin est  ): 14.470
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.08E+009 
       Octanol/air (Koa) model:  72.4 
   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 = 120.9812 E-12 cm3/molecule-sec
      Half-Life =     0.088 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.061 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    :  66.56  L/kg (MCI method)
      Log Koc:  1.823       (MCI method)
      Koc    :  0.05718  L/kg (Kow method)
      Log Koc:  -1.243      (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) = -2.9156 days (HL = 0.001214 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.079 (BCF = 1.199)
   Log BAF Arnot-Gobas method (upper trophic) = 0.079 (BAF = 1.199)
       log Kow used: 1.17 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.99E-018 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.632E+014  hours   (2.347E+013 days)
    Half-Life from Model Lake : 6.144E+015  hours   (2.56E+014 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.194           2.12         1000       
   Water     28.1            360          1000       
   Soil      71.6            720          1000       
   Sediment  0.128           3.24e+003    0          
     Persistence Time: 462 hr