CAS Number: 22418-73-1
SMILES : ON=C(C)CCC=C(C)C
CHEM   : 
MOL FOR: C8 H15 N1 O1 
MOL WT : 141.21
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  3.50
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  237.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -21.44  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00719  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.958  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  85.07
       log Kow used: 3.50 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  84.254 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.34E-005  atm-m3/mole  (3.38E+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:  1.570E-005 atm-m3/mole  (1.591E+000 Pa-m3/mole)
      VP:   0.00719 mm Hg (source: MPBPVP)
      WS:   85.1 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.50  (KowWin est)
  Log Kaw used:  -2.865  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.365
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6803
   Biowin2 (Non-Linear Model)     :   0.7317
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8871  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6440  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3983
   Biowin6 (MITI Non-Linear Model):   0.3531
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5758
 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):  0.905 Pa (0.00679 mm Hg)
  Log Koa (Koawin est  ): 6.365
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.31E-006 
       Octanol/air (Koa) model:  5.69E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00012 
       Mackay model           :  0.000265 
       Octanol/air (Koa) model:  4.55E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  89.9012 E-12 cm3/molecule-sec
      Half-Life =     0.119 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.428 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000192 (Junge-Pankow, Mackay avg)
      4.55E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1074  L/kg (MCI method)
      Log Koc:  3.031       (MCI method)
      Koc    :  1090  L/kg (Kow method)
      Log Koc:  3.037       (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 = 1.976 (BCF = 94.53 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0587 days (HL = 1.145 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.294 (BCF = 196.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.294 (BAF = 196.9)
       log Kow used: 3.50 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.34E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      22.04  hours
    Half-Life from Model Lake :      340.1  hours   (14.17 days)
 
 Removal In Wastewater Treatment:
    Total removal:              14.49  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    12.74  percent
    Total to Air:                1.57  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0612          0.523        1000       
   Water     23.2            360          1000       
   Soil      75.9            720          1000       
   Sediment  0.873           3.24e+003    0          
     Persistence Time: 449 hr