CAS Num: 000099-85-4
SMILES : C(=CCC(=C1)C)(C1)C(C)C
CHEM   : 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-
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) =  4.75
    Log Kow (Exper. database match) =  4.50
       Exper. Ref:  LI,J & PERDUE,EM (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  169.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -31.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.15  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  153  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -10 deg C
    BP  (exp database):  183 deg C
    VP  (exp database):  1.09E+00 mm Hg (1.45E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.618
       log Kow used: 4.50 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  8.68 mg/L (22 deg C)
        Exper. Ref:  LI,J & PERDUE,EM (1995)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  59.034 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.48E-001  atm-m3/mole  (4.54E+004 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 2.25E-02  atm-m3/mole  (2.28E+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:  5.698E-002 atm-m3/mole  (5.773E+003 Pa-m3/mole)
      VP:   1.15 mm Hg (source: MPBPVP)
      WS:   3.62 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.50  (exp database)
  Log Kaw used:  -0.036  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.536
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6827
   Biowin2 (Non-Linear Model)     :   0.7454
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8981  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6512  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3092
   Biowin6 (MITI Non-Linear Model):   0.2852
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0444
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6544
     BioHC Half-Life (days)     :   4.5120

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  145 Pa (1.09 mm Hg)
  Log Koa (Koawin est  ): 4.536
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.06E-008 
       Octanol/air (Koa) model:  8.43E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.46E-007 
       Mackay model           :  1.65E-006 
       Octanol/air (Koa) model:  6.75E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 178.0786 E-12 cm3/molecule-sec
      Half-Life =     0.060 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.721 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):
      1.2E-006 (Junge-Pankow, Mackay avg)
      6.75E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1120  L/kg (MCI method)
      Log Koc:  3.049       (MCI method)
      Koc    :  8038  L/kg (Kow method)
      Log Koc:  3.905       (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 = 2.636 (BCF = 432.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4309 days (HL = 2.697 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.920 (BCF = 831.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.925 (BAF = 841.4)
       log Kow used: 4.50 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0225 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.221  hours
    Half-Life from Model Lake :      111.2  hours   (4.633 days)

 Removal In Wastewater Treatment:
    Total removal:              92.85  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    36.95  percent
    Total to Air:               55.72  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.439           0.586        1000       
   Water     43.6            360          1000       
   Soil      54.3            720          1000       
   Sediment  1.7             3.24e+003    0          
     Persistence Time: 142 hr