CAS Num: 000106-23-0
SMILES : O=CCC(CCC=C(C)C)C
CHEM   : 6-Octenal, 3,7-dimethyl-
MOL FOR: C10 H18 O1 
MOL WT : 154.25
------------------------------ 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) =  3.53
    Log Kow (Exper. database match) =  3.83
       Exper. Ref:  GRIFFIN,S ET AL. (1999)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  205.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -28.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.254  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  33.9  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  207 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  38.94
       log Kow used: 3.83 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  514.22 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.79E-004  atm-m3/mole  (6.88E+001 Pa-m3/mole)
   Group Method:   2.62E-004  atm-m3/mole  (2.66E+001 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:  1.324E-003 atm-m3/mole  (1.341E+002 Pa-m3/mole)
      VP:   0.254 mm Hg (source: MPBPVP)
      WS:   38.9 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.83  (exp database)
  Log Kaw used:  -1.557  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.387
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9587
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8806  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8218  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7696
   Biowin6 (MITI Non-Linear Model):   0.8901
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5585
 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):  31.1 Pa (0.233 mm Hg)
  Log Koa (Koawin est  ): 5.387
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.66E-008 
       Octanol/air (Koa) model:  5.98E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.49E-006 
       Mackay model           :  7.73E-006 
       Octanol/air (Koa) model:  4.79E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 120.8289 E-12 cm3/molecule-sec
      Half-Life =     0.089 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.062 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):
      5.61E-006 (Junge-Pankow, Mackay avg)
      4.79E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  48.65  L/kg (MCI method)
      Log Koc:  1.687       (MCI method)
      Koc    :  652.1  L/kg (Kow method)
      Log Koc:  2.814       (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 = 2.194 (BCF = 156.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2065 days (HL = 1.609 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.540 (BCF = 346.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.540 (BAF = 347)
       log Kow used: 3.83 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000262 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      4.043  hours
    Half-Life from Model Lake :      148.2  hours   (6.177 days)

 Removal In Wastewater Treatment:
    Total removal:              30.44  percent
    Total biodegradation:        0.24  percent
    Total sludge adsorption:    21.67  percent
    Total to Air:                8.52  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.155           0.492        1000       
   Water     32.8            360          1000       
   Soil      67              720          1000       
   Sediment  0.126           3.24e+003    0          
     Persistence Time: 263 hr