CAS Number: 100403-19-8
SMILES : CCCCCCCCCCCCCCC(C(C(CO)NC(=O)CCCCCCCC=CCCCCCCCC)O)O
CHEM   : 
MOL FOR: C36 H71 N1 O4 
MOL WT : 581.97
------------------------------ 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) =  11.79
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  721.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  316.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.88E-022  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.84E-020  (Modified Grain method)
    Subcooled liquid VP: 5.43E-019 mm Hg (25 deg C, Mod-Grain method)
                       : 7.24E-017 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.8e-008
       log Kow used: 11.79 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.2129e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.21E-011  atm-m3/mole  (1.23E-006 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:  1.225E-014 atm-m3/mole  (1.241E-009 Pa-m3/mole)
      VP:   2.88E-022 mm Hg (source: MPBPVP)
      WS:   1.8E-008 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.79  (KowWin est)
  Log Kaw used:  -9.306  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.096
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3737
   Biowin2 (Non-Linear Model)     :   0.9888
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9355  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1400  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8357
   Biowin6 (MITI Non-Linear Model):   0.8093
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0450
 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):  7.24E-017 Pa (5.43E-019 mm Hg)
  Log Koa (Koawin est  ): 21.096
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.14E+010 
       Octanol/air (Koa) model:  3.06E+008 
   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 = 138.8655 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 146.4655 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.924 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.876 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   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    :  1.519E+007  L/kg (MCI method)
      Log Koc:  7.181       (MCI method)
      Koc    :  3.963E+006  L/kg (Kow method)
      Log Koc:  6.598       (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 = 1.180 (BCF = 15.14 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6740 days (HL = 4.721 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.042 (BCF = 0.9081)
   Log BAF Arnot-Gobas method (upper trophic) = 0.184 (BAF = 1.529)
       log Kow used: 11.79 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.21E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.167E+008  hours   (4.864E+006 days)
    Half-Life from Model Lake : 1.273E+009  hours   (5.306E+007 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       0.0945          0.987        1000       
   Water     24              360          1000       
   Soil      75.5            720          1000       
   Sediment  0.35            3.24e+003    0          
     Persistence Time: 475 hr