CAS Number: 5988-51-2
SMILES : OCCN(C)C
CHEM   : 
MOL FOR: C4 H11 N1 O1 
MOL WT : 89.14
------------------------------ 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) =  -0.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  136.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -39.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.28  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  437  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -59 deg C
    BP  (exp database):  134 deg C
    VP  (exp database):  3.18E+00 mm Hg (4.24E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -0.94 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L ( deg C)
        Exper. Ref:  HANN,RWJR & JENSEN,PA (1977)
 
 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 :   1.77E-009  atm-m3/mole  (1.80E-004 Pa-m3/mole)
   Group Method:   1.77E-009  atm-m3/mole  (1.80E-004 Pa-m3/mole)
   Exper Database: 3.73E-07  atm-m3/mole  (3.78E-002 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:  3.847E-007 atm-m3/mole  (3.898E-002 Pa-m3/mole)
      VP:   3.28 mm Hg (source: MPBPVP)
      WS:   1E+006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.94  (KowWin est)
  Log Kaw used:  -4.817  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.877
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6586
   Biowin2 (Non-Linear Model)     :   0.6543
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9074  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5606  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6229
   Biowin6 (MITI Non-Linear Model):   0.7339
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2132
 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):  424 Pa (3.18 mm Hg)
  Log Koa (Koawin est  ): 3.877
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.08E-009 
       Octanol/air (Koa) model:  1.85E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.56E-007 
       Mackay model           :  5.66E-007 
       Octanol/air (Koa) model:  1.48E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  83.3745 E-12 cm3/molecule-sec
      Half-Life =     0.128 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.539 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.11E-007 (Junge-Pankow, Mackay avg)
      1.48E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.224  L/kg (MCI method)
      Log Koc:  0.088       (MCI method)
      Koc    :  0.8479  L/kg (Kow method)
      Log Koc:  -0.072      (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) = -2.3589 days (HL = 0.004376 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8953)
   Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8953)
       log Kow used: -0.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.73E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1483  hours   (61.79 days)
    Half-Life from Model Lake : 1.626E+004  hours   (677.4 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.87  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.396           2.85         1000       
   Water     46.6            360          1000       
   Soil      52.9            720          1000       
   Sediment  0.0876          3.24e+003    0          
     Persistence Time: 348 hr