CAS Num: 006784-13-0
SMILES : O=CCC(C(CCC(=C1)C)C1)C
CHEM   : 3-Cyclohexene-1-propanal,  ,4-dimethyl-
MOL FOR: C11 H18 O1 
MOL WT : 166.27
------------------------------ 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) =  3.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  232.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  5.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0677  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  9.03  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  33.93
       log Kow used: 3.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  414.95 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.98E-004  atm-m3/mole  (4.03E+001 Pa-m3/mole)
   Group Method:   6.14E-005  atm-m3/mole  (6.23E+000 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:  4.365E-004 atm-m3/mole  (4.423E+001 Pa-m3/mole)
      VP:   0.0677 mm Hg (source: MPBPVP)
      WS:   33.9 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.84  (KowWin est)
  Log Kaw used:  -1.789  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.629
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9530
   Biowin2 (Non-Linear Model)     :   0.9996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8541  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8045  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7063
   Biowin6 (MITI Non-Linear Model):   0.8095
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2655
 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):  8.55 Pa (0.0641 mm Hg)
  Log Koa (Koawin est  ): 5.629
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.51E-007 
       Octanol/air (Koa) model:  1.04E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.27E-005 
       Mackay model           :  2.81E-005 
       Octanol/air (Koa) model:  8.36E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 125.4518 E-12 cm3/molecule-sec
      Half-Life =     0.085 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.023 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):
      2.04E-005 (Junge-Pankow, Mackay avg)
      8.36E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  96.72  L/kg (MCI method)
      Log Koc:  1.986       (MCI method)
      Koc    :  660.4  L/kg (Kow method)
      Log Koc:  2.820       (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 = 2.198 (BCF = 157.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1853 days (HL = 1.532 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.532 (BCF = 340.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.532 (BAF = 340.6)
       log Kow used: 3.84 (estimated)

 Volatilization from Water:
    Henry LC:  6.14E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      13.61  hours
    Half-Life from Model Lake :      256.6  hours   (10.69 days)

 Removal In Wastewater Treatment:
    Total removal:              25.45  percent
    Total biodegradation:        0.26  percent
    Total sludge adsorption:    22.76  percent
    Total to Air:                2.43  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0748          0.487        1000       
   Water     26.9            360          1000       
   Soil      72.8            720          1000       
   Sediment  0.154           3.24e+003    0          
     Persistence Time: 390 hr