CAS Number: 41736-92-9
SMILES : CCCCCCCCCCCCCCCC(=O)N1CC(CC1C(=O)O)O
CHEM   : 
MOL FOR: C21 H39 N1 O4 
MOL WT : 369.55
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  5.32
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  511.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  218.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.98E-013  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.3E-011  (Modified Grain method)
    Subcooled liquid VP: 8.04E-011 mm Hg (25 deg C, Mod-Grain method)
                       : 1.07E-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):  0.1344
       log Kow used: 5.32 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.7857 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Amides -acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.20E-014  atm-m3/mole  (1.22E-009 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:  2.525E-012 atm-m3/mole  (2.559E-007 Pa-m3/mole)
      VP:   6.98E-013 mm Hg (source: MPBPVP)
      WS:   0.134 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.32  (KowWin est)
  Log Kaw used:  -12.309  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.629
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1216
   Biowin2 (Non-Linear Model)     :   0.9830
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1512  (weeks       )
   Biowin4 (Primary Survey Model) :   4.3041  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8382
   Biowin6 (MITI Non-Linear Model):   0.7555
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3932
 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):  1.07E-008 Pa (8.04E-011 mm Hg)
  Log Koa (Koawin est  ): 17.629
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  280 
       Octanol/air (Koa) model:  1.04E+005 
   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 =  53.0510 E-12 cm3/molecule-sec
      Half-Life =     0.202 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.419 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    :  562.6  L/kg (MCI method)
      Log Koc:  2.750       (MCI method)
      Koc    :  436.1  L/kg (Kow method)
      Log Koc:  2.640       (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 = 1.000 (BCF = 10 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2899 days (HL = 0.5129 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.317 (BCF = 207.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.318 (BAF = 208.1)
       log Kow used: 5.32 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.2E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.379E+010  hours   (3.908E+009 days)
    Half-Life from Model Lake : 1.023E+012  hours   (4.263E+010 days)
 
 Removal In Wastewater Treatment:
    Total removal:              85.54  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    84.82  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       0.0033          4.84         1000       
   Water     16.7            360          1000       
   Soil      83              720          1000       
   Sediment  0.358           3.24e+003    0          
     Persistence Time: 774 hr