CAS Num: 002687-96-9
SMILES : O=C1CCCN1CCCCCCCCCCCC
CHEM   : 1-Lauryl-2-pyrrolidone
MOL FOR: C16 H31 N1 O1 
MOL WT : 253.43
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.30
    Log Kow (Exper. database match) =  4.20
       Exper. Ref:  SASAKI,H ET AL. (1988)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  367.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  124.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.19E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00692  (Modified Grain method)
    MP  (exp database):  < 4.0 deg C
    BP  (exp database):  202-205 @ 11 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.862
       log Kow used: 4.20 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5.42 mg/L (32 deg C)
        Exper. Ref:  SASAKI,H ET AL. (1988)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.4249 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Amides 

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.12E-007  atm-m3/mole  (7.22E-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:  2.952E-006 atm-m3/mole  (2.991E-001 Pa-m3/mole)
      VP:   5.19E-005 mm Hg (source: MPBPVP)
      WS:   5.86 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.20  (exp database)
  Log Kaw used:  -4.536  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.736
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9455
   Biowin2 (Non-Linear Model)     :   0.9810
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8832  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9566  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6880
   Biowin6 (MITI Non-Linear Model):   0.8247
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2032
 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):  0.00692 Pa (5.19E-005 mm Hg)
  Log Koa (Koawin est  ): 8.736
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000434 
       Octanol/air (Koa) model:  0.000134 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0154 
       Mackay model           :  0.0335 
       Octanol/air (Koa) model:  0.0106 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.1771 E-12 cm3/molecule-sec
      Half-Life =     0.266 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.195 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0245 (Junge-Pankow, Mackay avg)
      0.0106 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5705  L/kg (MCI method)
      Log Koc:  3.756       (MCI method)
      Koc    :  1588  L/kg (Kow method)
      Log Koc:  3.201       (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 v3.00):
   Log BCF from regression-based method = 1.064 (BCF = 11.58 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6573 days (HL = 0.2201 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.950 (BCF = 89.09)
   Log BAF Arnot-Gobas method (upper trophic) = 1.950 (BAF = 89.09)
       log Kow used: 4.20 (expkow database)

 Volatilization from Water:
    Henry LC:  7.12E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1311  hours   (54.61 days)
    Half-Life from Model Lake : 1.443E+004  hours   (601.3 days)

 Removal In Wastewater Treatment:
    Total removal:              39.96  percent
    Total biodegradation:        0.40  percent
    Total sludge adsorption:    39.53  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.555           6.39         1000       
   Water     23.1            360          1000       
   Soil      72.4            720          1000       
   Sediment  4.01            3.24e+003    0          
     Persistence Time: 491 hr