CAS Number: 190249-36-6
SMILES : CCCCCCCCCCCCCCCC(C(CO)NC(=O)C(CCCCCCCCCCCCCC)O)O
CHEM   : 
MOL FOR: C34 H69 N1 O4 
MOL WT : 555.93
------------------------------ 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) =  11.02
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  694.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  303.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.58E-021  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.78E-019  (Modified Grain method)
    Subcooled liquid VP: 4.68E-018 mm Hg (25 deg C, Mod-Grain method)
                       : 6.24E-016 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.203e-007
       log Kow used: 11.02 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.6693e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.34E-008  atm-m3/mole  (3.39E-003 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:  2.177E-014 atm-m3/mole  (2.206E-009 Pa-m3/mole)
      VP:   3.58E-021 mm Hg (source: MPBPVP)
      WS:   1.2E-007 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.02  (KowWin est)
  Log Kaw used:  -5.865  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.885
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3861
   Biowin2 (Non-Linear Model)     :   0.9922
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9930  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1776  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9007
   Biowin6 (MITI Non-Linear Model):   0.8948
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1021
 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):  6.24E-016 Pa (4.68E-018 mm Hg)
  Log Koa (Koawin est  ): 16.885
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.81E+009 
       Octanol/air (Koa) model:  1.88E+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 =  79.5366 E-12 cm3/molecule-sec
      Half-Life =     0.134 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.614 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    :  4.573E+006  L/kg (MCI method)
      Log Koc:  6.660       (MCI method)
      Koc    :  1.486E+006  L/kg (Kow method)
      Log Koc:  6.172       (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 = 1.556 (BCF = 35.99 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3073 days (HL = 2.029 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.031 (BCF = 0.9311)
   Log BAF Arnot-Gobas method (upper trophic) = 0.098 (BAF = 1.254)
       log Kow used: 11.02 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.34E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.133E+004  hours   (1722 days)
    Half-Life from Model Lake : 4.511E+005  hours   (1.88E+004 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       0.261           3.23         1000       
   Water     22.9            360          1000       
   Soil      76.2            720          1000       
   Sediment  0.59            3.24e+003    0          
     Persistence Time: 502 hr