CAS Num: 067801-17-6
SMILES : O=CC(=Cc(occ1)c1)CCCCCC
CHEM   : Octanal, 2-(2-furanylmethylene)-
MOL FOR: C13 H18 O2 
MOL WT : 206.29
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.19

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  293.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  49.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00159  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.212  (Modified Grain method)
    Subcooled liquid VP: 0.00269 mm Hg (25 deg C, Mod-Grain method)
                       : 0.358 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  10.72
       log Kow used: 4.19 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  56.706 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 :   1.03E-005  atm-m3/mole  (1.05E+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:  4.026E-005 atm-m3/mole  (4.079E+000 Pa-m3/mole)
      VP:   0.00159 mm Hg (source: MPBPVP)
      WS:   10.7 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.19  (KowWin est)
  Log Kaw used:  -3.376  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.566
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0424
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0640  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0158  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7882
   Biowin6 (MITI Non-Linear Model):   0.8664
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3315
 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):  0.359 Pa (0.00269 mm Hg)
  Log Koa (Koawin est  ): 7.566
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.36E-006 
       Octanol/air (Koa) model:  9.04E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000302 
       Mackay model           :  0.000669 
       Octanol/air (Koa) model:  0.000722 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  91.2044 E-12 cm3/molecule-sec
      Half-Life =     0.117 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.407 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.184000 E-17 cm3/molecule-sec
      Half-Life =     0.525 Days (at 7E11 mol/cm3)
      Half-Life =     12.593 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000485 (Junge-Pankow, Mackay avg)
      0.000722 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  682.1  L/kg (MCI method)
      Log Koc:  2.834       (MCI method)
      Koc    :  1031  L/kg (Kow method)
      Log Koc:  3.013       (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 = 2.432 (BCF = 270.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4094 days (HL = 2.567 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.809 (BCF = 644)
   Log BAF Arnot-Gobas method (upper trophic) = 2.811 (BAF = 647.3)
       log Kow used: 4.19 (estimated)

 Volatilization from Water:
    Henry LC:  1.03E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      83.11  hours   (3.463 days)
    Half-Life from Model Lake :       1027  hours   (42.79 days)

 Removal In Wastewater Treatment:
    Total removal:              39.68  percent
    Total biodegradation:        0.39  percent
    Total sludge adsorption:    38.94  percent
    Total to Air:                0.34  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.244           2.3          1000       
   Water     24.6            360          1000       
   Soil      74.6            720          1000       
   Sediment  0.625           3.24e+003    0          
     Persistence Time: 455 hr