CAS Number: 108-87-2
SMILES : C(CCCC1)(C1)C
CHEM   : Cyclohexane, methyl-
MOL FOR: C7 H14 
MOL WT : 98.19
------------------------------ 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) =  3.59
    Log Kow (Exper. database match) =  3.61
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  106.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -74.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  41.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.55E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -126.6 deg C
    BP  (exp database):  100.9 deg C
    VP  (exp database):  4.60E+01 mm Hg (6.13E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  28.4
       log Kow used: 3.61 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  14 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  17.22 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.39E-001  atm-m3/mole  (3.43E+004 Pa-m3/mole)
   Group Method:   3.30E-001  atm-m3/mole  (3.34E+004 Pa-m3/mole)
   Exper Database: 4.30E-01  atm-m3/mole  (4.36E+004 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:  1.892E-001 atm-m3/mole  (1.918E+004 Pa-m3/mole)
      VP:   41.6 mm Hg (source: MPBPVP)
      WS:   28.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.61  (exp database)
  Log Kaw used:  1.245  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.365
      Log Koa (experimental database):  3.030
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7008
   Biowin2 (Non-Linear Model)     :   0.8340
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9822  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7061  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5315
   Biowin6 (MITI Non-Linear Model):   0.6821
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1959
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8639
     BioHC Half-Life (days)     :   7.3104
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.13E+003 Pa (46 mm Hg)
  Log Koa (Exp database): 3.030
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.89E-010 
       Octanol/air (Koa) model:  2.63E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.77E-008 
       Mackay model           :  3.91E-008 
       Octanol/air (Koa) model:  2.1E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.1676 E-12 cm3/molecule-sec
      Half-Life =     1.052 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.624 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.84E-008 (Junge-Pankow, Mackay avg)
      2.1E-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    :  1357  L/kg (Kow method)
      Log Koc:  3.133       (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 = 2.049 (BCF = 111.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0596 days (HL = 1.147 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.528 (BCF = 337.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.529 (BAF = 338.4)
       log Kow used: 3.61 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.43 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.013  hours
    Half-Life from Model Lake :      94.13  hours   (3.922 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.44  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     8.57  percent
    Total to Air:               90.83  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       25.2            24.7         1000       
   Water     72              360          1000       
   Soil      2.09            720          1000       
   Sediment  0.773           3.24e+003    0          
     Persistence Time: 85.4 hr