CAS Number: 16219-75-3
SMILES : C(C(C=CC12)C1)(=CC)C2
CHEM   : Bicyclo 2.2.1 hept-2-ene, 5-ethylidene-
MOL FOR: C9 H12 
MOL WT : 120.20
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  3.67
    Log Kow (Exper. database match) =  3.82
       Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  158.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -29.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.12  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  817  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  146 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  15.91
       log Kow used: 3.82 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  8.9 mg/L (25 deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  67.72 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.26E-001  atm-m3/mole  (1.28E+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:  6.084E-002 atm-m3/mole  (6.164E+003 Pa-m3/mole)
      VP:   6.12 mm Hg (source: MPBPVP)
      WS:   15.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.82  (exp database)
  Log Kaw used:  0.712  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.108
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6903
   Biowin2 (Non-Linear Model)     :   0.7862
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9336  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6743  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4379
   Biowin6 (MITI Non-Linear Model):   0.3486
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3748
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.1866
     BioHC Half-Life (days)     :  15.3682
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  752 Pa (5.64 mm Hg)
  Log Koa (Koawin est  ): 3.108
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.99E-009 
       Octanol/air (Koa) model:  3.15E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.44E-007 
       Mackay model           :  3.19E-007 
       Octanol/air (Koa) model:  2.52E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 146.9296 E-12 cm3/molecule-sec
      Half-Life =     0.073 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.874 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    63.000000 E-17 cm3/molecule-sec
      Half-Life =     0.018 Days (at 7E11 mol/cm3)
      Half-Life =     26.194 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.32E-007 (Junge-Pankow, Mackay avg)
      2.52E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  780.9  L/kg (MCI method)
      Log Koc:  2.893       (MCI method)
      Koc    :  2065  L/kg (Kow method)
      Log Koc:  3.315       (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 v3.01):
   Log BCF from regression-based method = 2.187 (BCF = 154 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7358 days (HL = 5.442 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.997 (BCF = 99.41)
   Log BAF Arnot-Gobas method (upper trophic) = 1.997 (BAF = 99.41)
       log Kow used: 3.82 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.126 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.124  hours
    Half-Life from Model Lake :      104.2  hours   (4.341 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.18  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:    12.82  percent
    Total to Air:               85.30  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.532           0.349        1000       
   Water     80.7            360          1000       
   Soil      16.5            720          1000       
   Sediment  2.31            3.24e+003    0          
     Persistence Time: 76.2 hr