CAS Num: 000121-44-8
SMILES : N(CC)(CC)CC
CHEM   : Ethanamine, N,N-diethyl-
MOL FOR: C6 H15 N1 
MOL WT : 101.19
------------------------------ 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) =  1.51
    Log Kow (Exper. database match) =  1.45
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  95.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -70.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  59.1  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  7.88E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -114.7 deg C
    BP  (exp database):  89.3 deg C
    VP  (exp database):  5.71E+01 mm Hg (7.61E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.826e+004
       log Kow used: 1.45 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6.86e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & HE,Y (2003)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  44037 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.54E-005  atm-m3/mole  (8.66E+000 Pa-m3/mole)
   Group Method:   2.23E-004  atm-m3/mole  (2.26E+001 Pa-m3/mole)
   Exper Database: 1.49E-04  atm-m3/mole  (1.51E+001 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:  1.153E-004 atm-m3/mole  (1.168E+001 Pa-m3/mole)
      VP:   59.1 mm Hg (source: MPBPVP)
      WS:   6.83E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.45  (exp database)
  Log Kaw used:  -2.215  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.665
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4941
   Biowin2 (Non-Linear Model)     :   0.3427
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7207  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4137  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4757
   Biowin6 (MITI Non-Linear Model):   0.5278
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3995
 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):  7.61E+003 Pa (57.1 mm Hg)
  Log Koa (Koawin est  ): 3.665
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.94E-010 
       Octanol/air (Koa) model:  1.14E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.42E-008 
       Mackay model           :  3.15E-008 
       Octanol/air (Koa) model:  9.08E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  92.5604 E-12 cm3/molecule-sec
      Half-Life =     0.116 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.387 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.29E-008 (Junge-Pankow, Mackay avg)
      9.08E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  50.81  L/kg (MCI method)
      Log Koc:  1.706       (MCI method)
      Koc    :  45.9  L/kg (Kow method)
      Log Koc:  1.662       (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 = 0.624 (BCF = 4.204 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3260 days (HL = 0.04721 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.430 (BCF = 2.689)
   Log BAF Arnot-Gobas method (upper trophic) = 0.430 (BAF = 2.689)
       log Kow used: 1.45 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000149 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      4.979  hours
    Half-Life from Model Lake :      138.7  hours   (5.778 days)

 Removal In Wastewater Treatment:
    Total removal:               8.74  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                6.89  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.487           2.77         1000       
   Water     29.5            900          1000       
   Soil      69.9            1.8e+003     1000       
   Sediment  0.128           8.1e+003     0          
     Persistence Time: 486 hr