CAS Number: 137886-38-5
SMILES : CC(=C)C1CCC(CC1)C=O
CHEM   : 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde
MOL FOR: C10 H16 O1 
MOL WT : 152.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  3.42
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  212.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.193  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  25.8  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  88.46
       log Kow used: 3.42 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  983.77 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.54E-004  atm-m3/mole  (2.57E+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:  4.370E-004 atm-m3/mole  (4.428E+001 Pa-m3/mole)
      VP:   0.193 mm Hg (source: MPBPVP)
      WS:   88.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.42  (KowWin est)
  Log Kaw used:  -1.984  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.404
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9597
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8851  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8247  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7872
   Biowin6 (MITI Non-Linear Model):   0.8373
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3309
 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):  23.9 Pa (0.179 mm Hg)
  Log Koa (Koawin est  ): 5.404
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.26E-007 
       Octanol/air (Koa) model:  6.22E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.54E-006 
       Mackay model           :  1.01E-005 
       Octanol/air (Koa) model:  4.98E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  89.2191 E-12 cm3/molecule-sec
      Half-Life =     0.120 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.439 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      7.3E-006 (Junge-Pankow, Mackay avg)
      4.98E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  53.07  L/kg (MCI method)
      Log Koc:  1.725       (MCI method)
      Koc    :  386.8  L/kg (Kow method)
      Log Koc:  2.588       (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 = 1.926 (BCF = 84.27 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2242 days (HL = 1.676 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.302 (BCF = 200.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.302 (BAF = 200.7)
       log Kow used: 3.42 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000254 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.103  hours
    Half-Life from Model Lake :      148.2  hours   (6.176 days)
 
 Removal In Wastewater Treatment:
    Total removal:              20.37  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    10.60  percent
    Total to Air:                9.62  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.742           2.56         1000       
   Water     31.7            360          1000       
   Soil      67.5            720          1000       
   Sediment  0.127           3.24e+003    0          
     Persistence Time: 273 hr