CAS Num: 001335-86-0
SMILES : CC1=CCCCC1
CHEM   : METHYLCYCLOHEXENE
MOL FOR: C7 H12 
MOL WT : 96.17
------------------------------ 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) =  3.51

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  114.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -63.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  40.3  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.38E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -120.4 deg C
    BP  (exp database):  101.667 deg C
    VP  (exp database):  3.10E+01 mm Hg (4.13E+003 Pa) at 21 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  35.17
       log Kow used: 3.51 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  52 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  101.4 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.04E-001  atm-m3/mole  (1.05E+004 Pa-m3/mole)
   Group Method:   7.56E-002  atm-m3/mole  (7.66E+003 Pa-m3/mole)
   Exper Database: 7.45E-02  atm-m3/mole  (7.55E+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:  1.450E-001 atm-m3/mole  (1.469E+004 Pa-m3/mole)
      VP:   40.3 mm Hg (source: MPBPVP)
      WS:   35.2 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.51  (KowWin est)
  Log Kaw used:  0.484  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.026
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7018
   Biowin2 (Non-Linear Model)     :   0.8379
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9866  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7090  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5115
   Biowin6 (MITI Non-Linear Model):   0.6777
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2029
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7413
     BioHC Half-Life (days)     :   5.5121

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.13E+003 Pa (31 mm Hg)
  Log Koa (Koawin est  ): 3.026
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.26E-010 
       Octanol/air (Koa) model:  2.61E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.62E-008 
       Mackay model           :  5.81E-008 
       Octanol/air (Koa) model:  2.08E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  92.1597 E-12 cm3/molecule-sec
      Half-Life =     0.116 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.393 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      4.21E-008 (Junge-Pankow, Mackay avg)
      2.08E-008 (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    :  1112  L/kg (Kow method)
      Log Koc:  3.046       (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 = 1.982 (BCF = 95.83 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0234 days (HL = 1.055 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.284 (BCF = 192.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.284 (BAF = 192.5)
       log Kow used: 3.51 (estimated)

 Volatilization from Water:
    Henry LC:  0.0745 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.008  hours
    Half-Life from Model Lake :      93.23  hours   (3.885 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.82  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     7.23  percent
    Total to Air:               89.55  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.864           0.518        1000       
   Water     88.2            360          1000       
   Soil      10              720          1000       
   Sediment  0.946           3.24e+003    0          
     Persistence Time: 69.8 hr