CAS Number: 84029-90-3
SMILES : C=C2C1CCC(C)(C)C2CCC1(C)OC
CHEM   : 
MOL FOR: C14 H24 O1 
MOL WT : 208.35
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  4.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  239.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  42.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0512  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.83  (Modified Grain method)
    Subcooled liquid VP: 0.0735 mm Hg (25 deg C, Mod-Grain method)
                       : 9.8 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.376
       log Kow used: 4.94 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15.099 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.42E-003  atm-m3/mole  (4.48E+002 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  5.907E-003 atm-m3/mole  (5.986E+002 Pa-m3/mole)
      VP:   0.0512 mm Hg (source: MPBPVP)
      WS:   2.38 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.94  (KowWin est)
  Log Kaw used:  -0.743  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.683
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0669
   Biowin2 (Non-Linear Model)     :   0.0011
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3058  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2305  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3468
   Biowin6 (MITI Non-Linear Model):   0.1217
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9561
 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):  9.8 Pa (0.0735 mm Hg)
  Log Koa (Koawin est  ): 5.683
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.06E-007 
       Octanol/air (Koa) model:  1.18E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.11E-005 
       Mackay model           :  2.45E-005 
       Octanol/air (Koa) model:  9.46E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  72.5869 E-12 cm3/molecule-sec
      Half-Life =     0.147 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.768 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.78E-005 (Junge-Pankow, Mackay avg)
      9.46E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2129  L/kg (MCI method)
      Log Koc:  3.328       (MCI method)
      Koc    :  3689  L/kg (Kow method)
      Log Koc:  3.567       (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 = 2.929 (BCF = 849.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0640 days (HL = 11.59 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.462 (BCF = 2896)
   Log BAF Arnot-Gobas method (upper trophic) = 3.616 (BAF = 4131)
       log Kow used: 4.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00442 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.664  hours
    Half-Life from Model Lake :      139.2  hours   (5.799 days)
 
 Removal In Wastewater Treatment:
    Total removal:              84.95  percent
    Total biodegradation:        0.46  percent
    Total sludge adsorption:    64.10  percent
    Total to Air:               20.38  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.531           3.06         1000       
   Water     14.9            900          1000       
   Soil      82.7            1.8e+003     1000       
   Sediment  1.8             8.1e+003     0          
     Persistence Time: 544 hr