CAS Num: 000120-94-5
SMILES : N(CCC1)(C1)C
CHEM   : Pyrrolidine, 1-methyl-
MOL FOR: C5 H11 N1 
MOL WT : 85.15
------------------------------ 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) =  0.91
    Log Kow (Exper. database match) =  0.92
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  91.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -49.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  83.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.12E+004  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  81 deg C
    VP  (exp database):  1.00E+02 mm Hg (1.33E+004 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.131e+005
       log Kow used: 0.92 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.1558e+005 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.84E-005  atm-m3/mole  (2.88E+000 Pa-m3/mole)
   Group Method:   2.13E-005  atm-m3/mole  (2.16E+000 Pa-m3/mole)
   Exper Database: 3.01E-05  atm-m3/mole  (3.05E+000 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.395E-005 atm-m3/mole  (4.454E+000 Pa-m3/mole)
      VP:   83.6 mm Hg (source: MPBPVP)
      WS:   2.13E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.92  (exp database)
  Log Kaw used:  -2.910  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.830
      Log Koa (experimental database):  3.640

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5017
   Biowin2 (Non-Linear Model)     :   0.3957
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7562  (weeks       )
   Biowin4 (Primary Survey Model) :   3.4369  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4533
   Biowin6 (MITI Non-Linear Model):   0.5482
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7984
 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):  1.33E+004 Pa (100 mm Hg)
  Log Koa (Exp database): 3.640
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.25E-010 
       Octanol/air (Koa) model:  1.07E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.13E-009 
       Mackay model           :  1.8E-008 
       Octanol/air (Koa) model:  8.57E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  82.7491 E-12 cm3/molecule-sec
      Half-Life =     0.129 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.551 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.31E-008 (Junge-Pankow, Mackay avg)
      8.57E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  29.52  L/kg (MCI method)
      Log Koc:  1.470       (MCI method)
      Koc    :  23.37  L/kg (Kow method)
      Log Koc:  1.369       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6255 days (HL = 0.02369 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.117 (BCF = 1.308)
   Log BAF Arnot-Gobas method (upper trophic) = 0.117 (BAF = 1.308)
       log Kow used: 0.92 (expkow database)

 Volatilization from Water:
    Henry LC:  3.01E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      18.89  hours
    Half-Life from Model Lake :      283.5  hours   (11.81 days)

 Removal In Wastewater Treatment:
    Total removal:               3.48  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                1.62  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.476           3.1          1000       
   Water     33.6            360          1000       
   Soil      65.8            720          1000       
   Sediment  0.103           3.24e+003    0          
     Persistence Time: 367 hr