CAS Number: 4747-21-1
SMILES : N(C)C(C)C
CHEM   : 2-PROPANAMINE, N-METHYL-
MOL FOR: C4 H11 N1 
MOL WT : 73.14
------------------------------ 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) =  0.74
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  52.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -91.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  288  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.84E+004  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  50.4 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.214e+005
       log Kow used: 0.74 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.7113e+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 :   2.93E-005  atm-m3/mole  (2.97E+000 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:  8.624E-005 atm-m3/mole  (8.738E+000 Pa-m3/mole)
      VP:   288 mm Hg (source: MPBPVP)
      WS:   3.21E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.74  (KowWin est)
  Log Kaw used:  -2.922  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.662
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8666
   Biowin2 (Non-Linear Model)     :   0.9561
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0620  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7855  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4784
   Biowin6 (MITI Non-Linear Model):   0.5220
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6088
 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):  3.81E+004 Pa (286 mm Hg)
  Log Koa (Koawin est  ): 3.662
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.87E-011 
       Octanol/air (Koa) model:  1.13E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.84E-009 
       Mackay model           :  6.29E-009 
       Octanol/air (Koa) model:  9.02E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  82.6414 E-12 cm3/molecule-sec
      Half-Life =     0.129 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.553 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.57E-009 (Junge-Pankow, Mackay avg)
      9.02E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  22.79  L/kg (MCI method)
      Log Koc:  1.358       (MCI method)
      Koc    :  19.54  L/kg (Kow method)
      Log Koc:  1.291       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5476 days (HL = 0.2834 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.154 (BCF = 1.426)
   Log BAF Arnot-Gobas method (upper trophic) = 0.154 (BAF = 1.426)
       log Kow used: 0.74 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.93E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      17.96  hours
    Half-Life from Model Lake :      267.7  hours   (11.15 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.43  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                1.58  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.495           3.11         1000       
   Water     35.3            360          1000       
   Soil      64.2            720          1000       
   Sediment  0.0982          3.24e+003    0          
     Persistence Time: 357 hr