CAS Number: 60209-70-3
SMILES : CCCCCCCCCCCCCCCCCC(=O)NCC(CO)COC(=O)CCCCCCCCCCCCCCCCC
CHEM   : 
MOL FOR: C40 H79 N1 O4 
MOL WT : 638.08
------------------------------ 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) =  14.49
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  725.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  317.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.13E-021  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.51E-019  (Modified Grain method)
    Subcooled liquid VP: 1.41E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 1.88E-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):  3.778e-011
       log Kow used: 14.49 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.3808e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.33E-011  atm-m3/mole  (4.39E-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:  1.584E-010 atm-m3/mole  (1.605E-005 Pa-m3/mole)
      VP:   7.13E-021 mm Hg (source: MPBPVP)
      WS:   3.78E-011 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  14.49  (KowWin est)
  Log Kaw used:  -8.752  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  23.242
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2037
   Biowin2 (Non-Linear Model)     :   0.9960
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6317  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.0291  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1251
   Biowin6 (MITI Non-Linear Model):   0.9681
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5220
 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):  1.88E-015 Pa (1.41E-017 mm Hg)
  Log Koa (Koawin est  ): 23.242
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.6E+009 
       Octanol/air (Koa) model:  4.29E+010 
   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 =  66.3019 E-12 cm3/molecule-sec
      Half-Life =     0.161 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.936 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    :  1.918E+008  L/kg (MCI method)
      Log Koc:  8.283       (MCI method)
      Koc    :  2.737E+008  L/kg (Kow method)
      Log Koc:  8.437       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.553E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.414  years  
  Kb Half-Life at pH 7:      14.145  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 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) = 1.0780 days (HL = 11.97 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8931)
   Log BAF Arnot-Gobas method (upper trophic) = -0.042 (BAF = 0.9082)
       log Kow used: 14.49 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.33E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.416E+007  hours   (1.423E+006 days)
    Half-Life from Model Lake : 3.726E+008  hours   (1.553E+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       0.131           3.87         1000       
   Water     16.4            900          1000       
   Soil      83.5            1.8e+003     1000       
   Sediment  0.0122          8.1e+003     0          
     Persistence Time: 1.16e+003 hr