CAS Number: 112-57-2
SMILES : N(CCNCCNCCN)CCN
CHEM   : 1,2-Ethanediamine, N-(2-aminoethyl)-N -[2-[(2-aminoethyl)amino]ethyl]
         -
MOL FOR: C8 H23 N5 
MOL WT : 189.31
------------------------------ EPI SUMMARY (v4.11) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  -3.16
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  319.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  112.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00021  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.028  (Modified Grain method)
    MP  (exp database):  -30 deg C
    BP  (exp database):  341.5 deg C
    VP  (exp database):  8.00E-07 mm Hg (1.07E-004 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: -3.16 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6.54e+006 mg/L ( deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.79E-020  atm-m3/mole  (2.83E-015 Pa-m3/mole)
   Group Method:   4.15E-023  atm-m3/mole  (4.21E-018 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:  5.231E-011 atm-m3/mole  (5.300E-006 Pa-m3/mole)
      VP:   0.00021 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:  -3.16  (KowWin est)
  Log Kaw used:  -17.943  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.783
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.4266
   Biowin2 (Non-Linear Model)     :   0.9972
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9030  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7910  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7107
   Biowin6 (MITI Non-Linear Model):   0.2837
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.9305
 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):  0.000107 Pa (8E-007 mm Hg)
  Log Koa (Koawin est  ): 14.783
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0281 
       Octanol/air (Koa) model:  149 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.504 
       Mackay model           :  0.692 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 316.4722 E-12 cm3/molecule-sec
      Half-Life =     0.034 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    24.334 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.598 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  174.5  L/kg (MCI method)
      Log Koc:  2.242       (MCI method)
      Koc    :  0.1007  L/kg (Kow method)
      Log Koc:  -0.997      (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) = -0.7666 days (HL = 0.1711 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8931)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8931)
       log Kow used: -3.16 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.15E-023 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.941E+019  hours   (8.088E+017 days)
    Half-Life from Model Lake : 2.118E+020  hours   (8.823E+018 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       7.45e-016       0.811        1000       
   Water     18              360          1000       
   Soil      81.8            720          1000       
   Sediment  0.155           3.24e+003    0          
     Persistence Time: 760 hr