CAS Num: 000591-48-0
SMILES : C(=CC(CC1)C)C1
CHEM   : Cyclohexene, 3-methyl-
MOL FOR: C7 H12 
MOL WT : 96.17
------------------------------ 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) =  3.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  109.94  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -72.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  38.2  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.09E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  103 deg C
    VP  (exp database):  3.47E+01 mm Hg (4.63E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  45.39
       log Kow used: 3.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  64.319 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.79E-002  atm-m3/mole  (8.91E+003 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:  1.065E-001 atm-m3/mole  (1.079E+004 Pa-m3/mole)
      VP:   38.2 mm Hg (source: MPBPVP)
      WS:   45.4 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.38  (KowWin est)
  Log Kaw used:  0.556  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.824
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7018
   Biowin2 (Non-Linear Model)     :   0.8379
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9866  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7090  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5104
   Biowin6 (MITI Non-Linear Model):   0.6001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2889
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6731
     BioHC Half-Life (days)     :   4.7112

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.63E+003 Pa (34.7 mm Hg)
  Log Koa (Koawin est  ): 2.824
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.48E-010 
       Octanol/air (Koa) model:  1.64E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.34E-008 
       Mackay model           :  5.19E-008 
       Octanol/air (Koa) model:  1.31E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  62.9284 E-12 cm3/molecule-sec
      Half-Life =     0.170 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.040 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec
      Half-Life =     0.057 Days (at 7E11 mol/cm3)
      Half-Life =      1.375 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.76E-008 (Junge-Pankow, Mackay avg)
      1.31E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  233.9  L/kg (MCI method)
      Log Koc:  2.369       (MCI method)
      Koc    :  857.2  L/kg (Kow method)
      Log Koc:  2.933       (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 = 1.896 (BCF = 78.69 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0013 days (HL = 0.9971 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.197 (BCF = 157.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.197 (BAF = 157.4)
       log Kow used: 3.38 (estimated)

 Volatilization from Water:
    Henry LC:  0.0879 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.007  hours
    Half-Life from Model Lake :      93.22  hours   (3.884 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.25  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     5.56  percent
    Total to Air:               91.65  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.71            1.03         1000       
   Water     88.6            360          1000       
   Soil      8.72            720          1000       
   Sediment  0.951           3.24e+003    0          
     Persistence Time: 69.5 hr