CAS Num: 000100-37-8
SMILES : OCCN(CC)CC
CHEM   : Ethanol, 2-(diethylamino)-
MOL FOR: C6 H15 N1 O1 
MOL WT : 117.19
------------------------------ 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) =  0.05

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  179.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.648  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  86.3  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  163 deg C
    VP  (exp database):  1.40E+00 mm Hg (1.87E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.539e+005
       log Kow used: 0.05 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (25 deg C)
        Exper. Ref:  KIRK-OTHMER; 4th ed, 2:3 (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.12E-009  atm-m3/mole  (3.17E-004 Pa-m3/mole)
   Group Method:   2.56E-009  atm-m3/mole  (2.60E-004 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:  1.047E-007 atm-m3/mole  (1.061E-002 Pa-m3/mole)
      VP:   0.648 mm Hg (source: MPBPVP)
      WS:   9.54E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.05  (KowWin est)
  Log Kaw used:  -6.894  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.944
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6452
   Biowin2 (Non-Linear Model)     :   0.5596
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8454  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5201  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6383
   Biowin6 (MITI Non-Linear Model):   0.7434
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1612
 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):  187 Pa (1.4 mm Hg)
  Log Koa (Koawin est  ): 6.944
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.61E-008 
       Octanol/air (Koa) model:  2.16E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.8E-007 
       Mackay model           :  1.29E-006 
       Octanol/air (Koa) model:  0.000173 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  98.5519 E-12 cm3/molecule-sec
      Half-Life =     0.109 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.302 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.33E-007 (Junge-Pankow, Mackay avg)
      0.000173 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.453  L/kg (MCI method)
      Log Koc:  0.649       (MCI method)
      Koc    :  2.992  L/kg (Kow method)
      Log Koc:  0.476       (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) = -2.0806 days (HL = 0.008305 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.035 (BCF = 0.9225)
   Log BAF Arnot-Gobas method (upper trophic) = -0.035 (BAF = 0.9225)
       log Kow used: 0.05 (estimated)

 Volatilization from Water:
    Henry LC:  2.56E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.476E+005  hours   (1.032E+004 days)
    Half-Life from Model Lake : 2.701E+006  hours   (1.125E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       0.0487          2.6          1000       
   Water     35.5            360          1000       
   Soil      64.3            720          1000       
   Sediment  0.0717          3.24e+003    0          
     Persistence Time: 558 hr