CAS Num: 000464-17-5
SMILES : C(=CC1C2)C(C2)(C1(C)C)C
CHEM   : BICYCLO[2.2.1]HEPT-2-ENE, 1,7,7-TRIMETHYL-
MOL FOR: C10 H16 
MOL WT : 136.24
------------------------------ 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) =  4.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  147.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -10.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.765  (Modified Grain method)
    VP (Pa, 25 deg C) :  102  (Modified Grain method)
    MP  (exp database):  113 deg C
    BP  (exp database):  146 deg C
    Subcooled liquid VP: 5.64 mm Hg (25 deg C, Mod-Grain method)
                       : 751 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.858
       log Kow used: 4.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.1129 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.07E-002  atm-m3/mole  (9.19E+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:  2.000E-002 atm-m3/mole  (2.026E+003 Pa-m3/mole)
      VP:   0.765 mm Hg (source: MPBPVP)
      WS:   6.86 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.17  (KowWin est)
  Log Kaw used:  0.569  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.601
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3148
   Biowin2 (Non-Linear Model)     :   0.0853
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4739  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3443  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5076
   Biowin6 (MITI Non-Linear Model):   0.4624
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4187
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.3213
     BioHC Half-Life (days)     : 209.5601

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  752 Pa (5.64 mm Hg)
  Log Koa (Koawin est  ): 3.601
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.99E-009 
       Octanol/air (Koa) model:  9.79E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.44E-007 
       Mackay model           :  3.19E-007 
       Octanol/air (Koa) model:  7.84E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  59.9127 E-12 cm3/molecule-sec
      Half-Life =     0.179 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.142 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      2.32E-007 (Junge-Pankow, Mackay avg)
      7.84E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  950.9  L/kg (MCI method)
      Log Koc:  2.978       (MCI method)
      Koc    :  4157  L/kg (Kow method)
      Log Koc:  3.619       (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 = 2.422 (BCF = 264 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5856 days (HL = 3.851 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.896 (BCF = 787.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.901 (BAF = 796.3)
       log Kow used: 4.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.0907 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.199  hours
    Half-Life from Model Lake :      110.9  hours   (4.623 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.72  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:    22.83  percent
    Total to Air:               74.81  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.96            3.64         1000       
   Water     72.7            900          1000       
   Soil      19.5            1.8e+003     1000       
   Sediment  3.83            8.1e+003     0          
     Persistence Time: 108 hr