CAS Number: 104010-36-8
SMILES : CC1CCC=C(C=C(C2C1CC2(C)C)O)C
CHEM   : (2Z,4Z)-4,8,11,11-tetramethylbicyclo[7.2.0]undeca-2,4-dien-2-ol
MOL FOR: C15 H24 O1 
MOL WT : 220.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  5.21
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  324.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  91.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.33E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000844  (Modified Grain method)
    Subcooled liquid VP: 2.76E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00368 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.223
       log Kow used: 5.21 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.49366 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.63E-004  atm-m3/mole  (1.65E+001 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:  1.501E-006 atm-m3/mole  (1.521E-001 Pa-m3/mole)
      VP:   6.33E-006 mm Hg (source: MPBPVP)
      WS:   1.22 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.21  (KowWin est)
  Log Kaw used:  -2.176  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.386
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6174
   Biowin2 (Non-Linear Model)     :   0.3261
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6601  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5058  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3959
   Biowin6 (MITI Non-Linear Model):   0.1217
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0724
 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):  0.00368 Pa (2.76E-005 mm Hg)
  Log Koa (Koawin est  ): 7.386
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000815 
       Octanol/air (Koa) model:  5.97E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0286 
       Mackay model           :  0.0612 
       Octanol/air (Koa) model:  0.000477 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 268.5030 E-12 cm3/molecule-sec
      Half-Life =     0.040 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.682 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   222.446243 E-17 cm3/molecule-sec
      Half-Life =     0.005 Days (at 7E11 mol/cm3)
      Half-Life =      7.419 Min
   Fraction sorbed to airborne particulates (phi):
      0.0449 (Junge-Pankow, Mackay avg)
      0.000477 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1405  L/kg (MCI method)
      Log Koc:  3.148       (MCI method)
      Koc    :  2486  L/kg (Kow method)
      Log Koc:  3.395       (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 = 3.103 (BCF = 1268 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2909 days (HL = 19.54 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.667 (BCF = 4641)
   Log BAF Arnot-Gobas method (upper trophic) = 4.102 (BAF = 1.265e+004)
       log Kow used: 5.21 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000163 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      6.847  hours
    Half-Life from Model Lake :      199.2  hours   (8.299 days)
 
 Removal In Wastewater Treatment:
    Total removal:              83.64  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    82.03  percent
    Total to Air:                0.90  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00792         0.109        1000       
   Water     13.1            900          1000       
   Soil      85.9            1.8e+003     1000       
   Sediment  1.02            8.1e+003     0          
     Persistence Time: 939 hr