CAS Num: 030640-46-1
SMILES : CC1=CC=CCC1
CHEM   : Cyclohexadiene, methyl-
MOL FOR: C7 H10 
MOL WT : 94.16
------------------------------ 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) =  3.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  117.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -61.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  20.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.75E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  54.36
       log Kow used: 3.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  604.96 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.32E-001  atm-m3/mole  (1.34E+004 Pa-m3/mole)
   Group Method:   1.65E-002  atm-m3/mole  (1.68E+003 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.695E-002 atm-m3/mole  (4.757E+003 Pa-m3/mole)
      VP:   20.6 mm Hg (source: MPBPVP)
      WS:   54.4 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.29  (KowWin est)
  Log Kaw used:  0.732  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.558
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7027
   Biowin2 (Non-Linear Model)     :   0.8418
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9911  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7119  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4905
   Biowin6 (MITI Non-Linear Model):   0.5952
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2959
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5505
     BioHC Half-Life (days)     :   3.5523

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.57E+003 Pa (19.3 mm Hg)
  Log Koa (Koawin est  ): 2.558
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.17E-009 
       Octanol/air (Koa) model:  8.87E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.21E-008 
       Mackay model           :  9.33E-008 
       Octanol/air (Koa) model:  7.1E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 192.4336 E-12 cm3/molecule-sec
      Half-Life =     0.056 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.667 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   100.000000 E-17 cm3/molecule-sec
      Half-Life =     0.011 Days (at 7E11 mol/cm3)
      Half-Life =     16.502 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      6.77E-008 (Junge-Pankow, Mackay avg)
      7.1E-009 (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    :  716.1  L/kg (Kow method)
      Log Koc:  2.855       (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 = 1.840 (BCF = 69.13 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0323 days (HL = 0.9283 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.131 (BCF = 135.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.131 (BAF = 135.3)
       log Kow used: 3.29 (estimated)

 Volatilization from Water:
    Henry LC:  0.0165 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.025  hours
    Half-Life from Model Lake :      92.54  hours   (3.856 days)

 Removal In Wastewater Treatment:
    Total removal:              87.03  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     5.14  percent
    Total to Air:               81.84  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.287           0.228        1000       
   Water     68.6            360          1000       
   Soil      30.4            720          1000       
   Sediment  0.736           3.24e+003    0          
     Persistence Time: 90.5 hr