CAS Num: 065405-84-7
SMILES : O=CCCC(C1C(=CCCC1(C)C)C)C
CHEM   : Cyclohexenebutanal, a,2,2,6-tetramethyl-
MOL FOR: C14 H24 O1 
MOL WT : 208.35
------------------------------ 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) =  5.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  270.68  (Adapted Stein & Brown method)
    Melting Pt (deg C):  43.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00626  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.834  (Modified Grain method)
    Subcooled liquid VP: 0.00913 mm Hg (25 deg C, Mod-Grain method)
                       : 1.22 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.442
       log Kow used: 5.20 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19.494 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.31E-004  atm-m3/mole  (9.43E+001 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:  1.190E-003 atm-m3/mole  (1.206E+002 Pa-m3/mole)
      VP:   0.00626 mm Hg (source: MPBPVP)
      WS:   1.44 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.20  (KowWin est)
  Log Kaw used:  -1.420  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.620
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7491
   Biowin2 (Non-Linear Model)     :   0.9960
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5490  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5903  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6792
   Biowin6 (MITI Non-Linear Model):   0.7032
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0818
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.22 Pa (0.00913 mm Hg)
  Log Koa (Koawin est  ): 6.620
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.46E-006 
       Octanol/air (Koa) model:  1.02E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.9E-005 
       Mackay model           :  0.000197 
       Octanol/air (Koa) model:  8.19E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 122.0717 E-12 cm3/molecule-sec
      Half-Life =     0.088 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.051 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):
      0.000143 (Junge-Pankow, Mackay avg)
      8.19E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  434.1  L/kg (MCI method)
      Log Koc:  2.638       (MCI method)
      Koc    :  3733  L/kg (Kow method)
      Log Koc:  3.572       (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 = 3.097 (BCF = 1249 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6158 days (HL = 4.129 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.169 (BCF = 1475)
   Log BAF Arnot-Gobas method (upper trophic) = 3.221 (BAF = 1662)
       log Kow used: 5.20 (estimated)

 Volatilization from Water:
    Henry LC:  0.000931 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.381  hours
    Half-Life from Model Lake :        147  hours   (6.125 days)

 Removal In Wastewater Treatment:
    Total removal:              84.52  percent
    Total biodegradation:        0.67  percent
    Total sludge adsorption:    79.76  percent
    Total to Air:                4.09  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0889          0.49         1000       
   Water     17.4            900          1000       
   Soil      82.1            1.8e+003     1000       
   Sediment  0.415           8.1e+003     0          
     Persistence Time: 529 hr