CAS Number: 608514-56-3
SMILES : O=C(C=CCCC=CCC)NCC
CHEM   : ethyl (E,Z)-2,6-nonadienamide
MOL FOR: C11 H19 N1 O1 
MOL WT : 181.28
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  2.80
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  332.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  101.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.97E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00796  (Modified Grain method)
    Subcooled liquid VP: 0.000335 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0447 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  219.4
       log Kow used: 2.80 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1417.8 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylamides
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.77E-008  atm-m3/mole  (9.90E-003 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:  6.490E-008 atm-m3/mole  (6.576E-003 Pa-m3/mole)
      VP:   5.97E-005 mm Hg (source: MPBPVP)
      WS:   219 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.80  (KowWin est)
  Log Kaw used:  -5.399  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.199
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9798
   Biowin2 (Non-Linear Model)     :   0.9931
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0427  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0607  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5227
   Biowin6 (MITI Non-Linear Model):   0.5123
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3988
 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):  0.0447 Pa (0.000335 mm Hg)
  Log Koa (Koawin est  ): 8.199
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.72E-005 
       Octanol/air (Koa) model:  3.88E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00242 
       Mackay model           :  0.00534 
       Octanol/air (Koa) model:  0.0031 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  89.0356 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  99.2956 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.442 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.293 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.568750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    21.137501 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.027 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.301 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00388 (Junge-Pankow, Mackay avg)
      0.0031 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  444.4  L/kg (MCI method)
      Log Koc:  2.648       (MCI method)
      Koc    :  280.7  L/kg (Kow method)
      Log Koc:  2.448       (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 = 1.516 (BCF = 32.82 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7193 days (HL = 0.1908 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.550 (BCF = 35.45)
   Log BAF Arnot-Gobas method (upper trophic) = 1.550 (BAF = 35.45)
       log Kow used: 2.80 (estimated)
 
 Volatilization from Water:
    Henry LC:  9.77E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       8070  hours   (336.2 days)
    Half-Life from Model Lake : 8.815E+004  hours   (3673 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.31  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.20  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.115           1.19         1000       
   Water     24.9            360          1000       
   Soil      74.5            720          1000       
   Sediment  0.445           3.24e+003    0          
     Persistence Time: 470 hr