CAS Num: 017699-05-7
SMILES : C(C(C(=C1)C)C2(C)CCC=C(C)C)C2C1
CHEM   : BICYCLO[3.1.1]HEPT-2-ENE, 2,6-DIMETHYL-6-(4-METHYL-3-PENTENYL)-
MOL FOR: C15 H24 
MOL WT : 204.36
------------------------------ 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) =  6.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  255.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0277  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.69  (Modified Grain method)
    Subcooled liquid VP: 0.0332 mm Hg (25 deg C, Mod-Grain method)
                       : 4.42 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.02985
       log Kow used: 6.57 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.27926 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.15E-001  atm-m3/mole  (8.26E+004 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:  2.495E-001 atm-m3/mole  (2.528E+004 Pa-m3/mole)
      VP:   0.0277 mm Hg (source: MPBPVP)
      WS:   0.0299 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.57  (KowWin est)
  Log Kaw used:  1.523  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.047
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4663
   Biowin2 (Non-Linear Model)     :   0.1657
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5354  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3995  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3490
   Biowin6 (MITI Non-Linear Model):   0.1459
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0726
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.7099
     BioHC Half-Life (days)     :  51.2785

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.43 Pa (0.0332 mm Hg)
  Log Koa (Koawin est  ): 5.047
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.78E-007 
       Octanol/air (Koa) model:  2.74E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.45E-005 
       Mackay model           :  5.42E-005 
       Octanol/air (Koa) model:  2.19E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 180.3143 E-12 cm3/molecule-sec
      Half-Life =     0.059 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.712 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    86.000000 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     19.189 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      3.93E-005 (Junge-Pankow, Mackay avg)
      2.19E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.856E+004  L/kg (MCI method)
      Log Koc:  4.268       (MCI method)
      Koc    :  5.032E+005  L/kg (Kow method)
      Log Koc:  5.702       (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 = 3.999 (BCF = 9972 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.7501 days (HL = 56.25 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.885 (BCF = 7680)
   Log BAF Arnot-Gobas method (upper trophic) = 5.987 (BAF = 9.696e+005)
       log Kow used: 6.57 (estimated)

 Volatilization from Water:
    Henry LC:  0.815 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.46  hours
    Half-Life from Model Lake :      135.8  hours   (5.658 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.71  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    66.12  percent
    Total to Air:               32.30  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.151           0.261        1000       
   Water     41.4            900          1000       
   Soil      21              1.8e+003     1000       
   Sediment  37.5            8.1e+003     0          
     Persistence Time: 205 hr