CAS Num: 000098-89-5
SMILES : O=C(O)C(CCCC1)C1
CHEM   : Cyclohexanecarboxylic acid
MOL FOR: C7 H12 O2 
MOL WT : 128.17
------------------------------ 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) =  2.36
    Log Kow (Exper. database match) =  1.96
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  235.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  43.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0568  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.58  (Modified Grain method)
    MP  (exp database):  31.5 deg C
    BP  (exp database):  232.5 deg C
    Subcooled liquid VP: 0.065 mm Hg (25 deg C, Mod-Grain method)
                       : 8.66 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4919
       log Kow used: 1.96 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4600 mg/L (25 deg C)
        Exper. Ref:  NIYAZOU,AN ET AL (1975)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  22651 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.96E-007  atm-m3/mole  (1.01E-001 Pa-m3/mole)
   Group Method:   2.94E-007  atm-m3/mole  (2.98E-002 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:  1.947E-006 atm-m3/mole  (1.973E-001 Pa-m3/mole)
      VP:   0.0568 mm Hg (source: MPBPVP)
      WS:   4.92E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.96  (exp database)
  Log Kaw used:  -4.390  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.350
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7592
   Biowin2 (Non-Linear Model)     :   0.8620
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2805  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0484  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6231
   Biowin6 (MITI Non-Linear Model):   0.7337
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4622
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  8.67 Pa (0.065 mm Hg)
  Log Koa (Koawin est  ): 6.350
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.46E-007 
       Octanol/air (Koa) model:  5.5E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.25E-005 
       Mackay model           :  2.77E-005 
       Octanol/air (Koa) model:  4.4E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.7865 E-12 cm3/molecule-sec
      Half-Life =     1.093 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.115 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.01E-005 (Junge-Pankow, Mackay avg)
      4.4E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  16.55  L/kg (MCI method)
      Log Koc:  1.219       (MCI method)
      Koc    :  17.37  L/kg (Kow method)
      Log Koc:  1.240       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3892 days (HL = 0.4081 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.983 (BCF = 9.623)
   Log BAF Arnot-Gobas method (upper trophic) = 0.983 (BAF = 9.623)
       log Kow used: 1.96 (expkow database)

 Volatilization from Water:
    Henry LC:  2.94E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2256  hours   (93.99 days)
    Half-Life from Model Lake :  2.47E+004  hours   (1029 days)

 Removal In Wastewater Treatment:
    Total removal:               2.23  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.11  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.58            26.2         1000       
   Water     32.5            208          1000       
   Soil      64.8            416          1000       
   Sediment  0.0763          1.87e+003    0          
     Persistence Time: 292 hr