CAS Num: 007785-53-7
SMILES : OC(C(CCC(=C1)C)C1)(C)C
CHEM   : 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (R)-
MOL FOR: C10 H18 O1 
MOL WT : 154.25
------------------------------ 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) =  3.33
    Log Kow (Exper. database match) =  2.98
       Exper. Ref:  LI,J & PERDUE,EM (1995)
    Log Kow (Exper. database match) =  3.28
       Exper. Ref:  GRIFFIN,S ET AL. (1999)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  214.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0196  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.62  (Modified Grain method)
    MP  (exp database):  33 deg C
    BP  (exp database):  217.5 deg C
    VP  (exp database):  4.23E-02 mm Hg (5.64E+000 Pa) at 24 deg C
    Subcooled liquid VP: 0.0508 mm Hg (24 deg C, exp database VP )
                       : 6.77 Pa  (24 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  371.7
       log Kow used: 3.28 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  710 mg/L (25 deg C)
        Exper. Ref:  LI,J & PERDUE,EM (1995)
     Water Sol (Exper. database match) =  1980 mg/L (20 deg C)
        Exper. Ref:  SEIDELL,A (1941)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1767.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.58E-005  atm-m3/mole  (1.60E+000 Pa-m3/mole)
   Group Method:   3.15E-006  atm-m3/mole  (3.19E-001 Pa-m3/mole)
   Exper Database: 1.22E-05  atm-m3/mole  (1.24E+000 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:  1.070E-005 atm-m3/mole  (1.084E+000 Pa-m3/mole)
      VP:   0.0196 mm Hg (source: MPBPVP)
      WS:   372 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.28  (exp database)
  Log Kaw used:  -3.302  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.582
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4902
   Biowin2 (Non-Linear Model)     :   0.2880
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6462  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4717  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3999
   Biowin6 (MITI Non-Linear Model):   0.2970
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1310
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.77 Pa (0.0508 mm Hg)
  Log Koa (Koawin est  ): 6.582
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.43E-007 
       Octanol/air (Koa) model:  9.38E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.6E-005 
       Mackay model           :  3.54E-005 
       Octanol/air (Koa) model:  7.5E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 103.0734 E-12 cm3/molecule-sec
      Half-Life =     0.104 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.245 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):
      2.57E-005 (Junge-Pankow, Mackay avg)
      7.5E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  77.25  L/kg (MCI method)
      Log Koc:  1.888       (MCI method)
      Koc    :  212.8  L/kg (Kow method)
      Log Koc:  2.328       (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 = 1.831 (BCF = 67.79 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0875 days (HL = 0.8176 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.103 (BCF = 126.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.103 (BAF = 126.7)
       log Kow used: 3.28 (expkow database)

 Volatilization from Water:
    Henry LC:  1.22E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      60.87  hours   (2.536 days)
    Half-Life from Model Lake :      768.2  hours   (32.01 days)

 Removal In Wastewater Treatment:
    Total removal:               9.51  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.73  percent
    Total to Air:                0.63  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0342          0.509        1000       
   Water     25.9            900          1000       
   Soil      73.9            1.8e+003     1000       
   Sediment  0.146           8.1e+003     0          
     Persistence Time: 825 hr