CAS Number: 645337-39-9
SMILES : CCCCCCCCCCCCCC(=O)N(C)CCC(=O)OCC(CCCCCC)CCCCCCCC
CHEM   : 
MOL FOR: C34 H67 N1 O3 
MOL WT : 537.92
------------------------------ 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) =  12.73
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  571.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  244.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.67E-012  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.23E-010  (Modified Grain method)
    Subcooled liquid VP: 4E-010 mm Hg (25 deg C, Mod-Grain method)
                       : 5.33E-008 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.455e-009
       log Kow used: 12.73 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.3792e-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 :   3.58E-007  atm-m3/mole  (3.63E-002 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:  2.167E-004 atm-m3/mole  (2.196E+001 Pa-m3/mole)
      VP:   1.67E-012 mm Hg (source: MPBPVP)
      WS:   5.45E-009 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  12.73  (KowWin est)
  Log Kaw used:  -4.835  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.565
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2011
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9915  (weeks       )
   Biowin4 (Primary Survey Model) :   4.3133  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8674
   Biowin6 (MITI Non-Linear Model):   0.8702
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2955
 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):  5.33E-008 Pa (4E-010 mm Hg)
  Log Koa (Koawin est  ): 17.565
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  56.2 
       Octanol/air (Koa) model:  9.02E+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 =  62.2103 E-12 cm3/molecule-sec
      Half-Life =     0.172 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.063 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    :  3.288E+007  L/kg (MCI method)
      Log Koc:  7.517       (MCI method)
      Koc    :  7.137E+007  L/kg (Kow method)
      Log Koc:  7.853       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.173E-002  L/mol-sec
  Kb Half-Life at pH 8:     252.803  days   
  Kb Half-Life at pH 7:       6.921  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.315 (BCF = 20.65 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1858 days (HL = 15.34 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8985)
   Log BAF Arnot-Gobas method (upper trophic) = 0.405 (BAF = 2.539)
       log Kow used: 12.73 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.58E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3795  hours   (158.1 days)
    Half-Life from Model Lake :  4.16E+004  hours   (1733 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       0.315           4.13         1000       
   Water     22.7            360          1000       
   Soil      76.9            720          1000       
   Sediment  0.0822          3.24e+003    0          
     Persistence Time: 509 hr