CAS Number: 140899-08-7
SMILES : CCCCCCCCCCCC=CCC=O
CHEM   : 
MOL FOR: C15 H28 O1 
MOL WT : 224.39
------------------------------ 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) =  6.00
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  305.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00126  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.168  (Modified Grain method)
    Subcooled liquid VP: 0.00149 mm Hg (25 deg C, Mod-Grain method)
                       : 0.198 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.2435
       log Kow used: 6.00 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.56082 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Aldehydes
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.37E-003  atm-m3/mole  (2.40E+002 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:  1.528E-003 atm-m3/mole  (1.548E+002 Pa-m3/mole)
      VP:   0.00126 mm Hg (source: MPBPVP)
      WS:   0.243 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.00  (KowWin est)
  Log Kaw used:  -1.014  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.014
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0338
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0240  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9897  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0123
   Biowin6 (MITI Non-Linear Model):   0.9732
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7002
 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):  0.199 Pa (0.00149 mm Hg)
  Log Koa (Koawin est  ): 7.014
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.51E-005 
       Octanol/air (Koa) model:  2.54E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000545 
       Mackay model           :  0.00121 
       Octanol/air (Koa) model:  0.000203 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  91.6298 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  99.2298 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.401 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 =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000876 (Junge-Pankow, Mackay avg)
      0.000203 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1321  L/kg (MCI method)
      Log Koc:  3.121       (MCI method)
      Koc    :  1.034E+004  L/kg (Kow method)
      Log Koc:  4.015       (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 = 2.254 (BCF = 179.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7221 days (HL = 5.273 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.232 (BCF = 1704)
   Log BAF Arnot-Gobas method (upper trophic) = 3.581 (BAF = 3814)
       log Kow used: 6.00 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00237 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.899  hours
    Half-Life from Model Lake :      146.3  hours   (6.097 days)
 
 Removal In Wastewater Treatment:
    Total removal:              92.48  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    89.99  percent
    Total to Air:                1.75  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.286           1.21         1000       
   Water     19.9            360          1000       
   Soil      79              720          1000       
   Sediment  0.855           3.24e+003    0          
     Persistence Time: 331 hr