CAS Number: 22644-96-8
SMILES : CCCCCCCCCCCCCC=CC=O
CHEM   : 
MOL FOR: C16 H30 O1 
MOL WT : 238.42
------------------------------ 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) =  6.49
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  319.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  43.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00048  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0639  (Modified Grain method)
    Subcooled liquid VP: 0.000707 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0943 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.07787
       log Kow used: 6.49 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.17304 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Aldehydes
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.68E-003  atm-m3/mole  (1.70E+002 Pa-m3/mole)
   Group Method:   1.44E-003  atm-m3/mole  (1.46E+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:  1.934E-003 atm-m3/mole  (1.959E+002 Pa-m3/mole)
      VP:   0.00048 mm Hg (source: MPBPVP)
      WS:   0.0779 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.49  (KowWin est)
  Log Kaw used:  -1.163  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.653
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0271
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9930  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9695  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0200
   Biowin6 (MITI Non-Linear Model):   0.9738
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7262
 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):  0.0943 Pa (0.000707 mm Hg)
  Log Koa (Koawin est  ): 7.653
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.18E-005 
       Octanol/air (Koa) model:  1.1E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00115 
       Mackay model           :  0.00254 
       Octanol/air (Koa) model:  0.000882 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  52.6494 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  55.2334 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.438 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    2.324 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.091000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.182000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    12.593 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     6.297 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.00184 (Junge-Pankow, Mackay avg)
      0.000882 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2407  L/kg (MCI method)
      Log Koc:  3.381       (MCI method)
      Koc    :  1.93E+004  L/kg (Kow method)
      Log Koc:  4.286       (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 = 2.578 (BCF = 378.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8612 days (HL = 7.265 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.229 (BCF = 1693)
   Log BAF Arnot-Gobas method (upper trophic) = 4.100 (BAF = 1.258e+004)
       log Kow used: 6.49 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00144 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.203  hours
    Half-Life from Model Lake :      153.5  hours   (6.396 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.48  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.34  percent
    Total to Air:                0.37  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.82            4.8          1000       
   Water     17.9            360          1000       
   Soil      80              720          1000       
   Sediment  1.21            3.24e+003    0          
     Persistence Time: 390 hr