CAS Number: 89079-92-5
SMILES : CC1=CCC2(C(C1)C(C)C)C=CC(O2)C
CHEM   : 1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
MOL FOR: C14 H22 O1 
MOL WT : 206.33
------------------------------ 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) =  5.03
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  256.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  38.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0242  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.22  (Modified Grain method)
    Subcooled liquid VP: 0.0321 mm Hg (25 deg C, Mod-Grain method)
                       : 4.28 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.055
       log Kow used: 5.03 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18.634 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.59E-003  atm-m3/mole  (4.65E+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:  3.197E-003 atm-m3/mole  (3.239E+002 Pa-m3/mole)
      VP:   0.0242 mm Hg (source: MPBPVP)
      WS:   2.06 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.03  (KowWin est)
  Log Kaw used:  -0.727  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.757
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1180
   Biowin2 (Non-Linear Model)     :   0.0062
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5224  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3869  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2013
   Biowin6 (MITI Non-Linear Model):   0.0541
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6212
 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):  4.28 Pa (0.0321 mm Hg)
  Log Koa (Koawin est  ): 5.757
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.01E-007 
       Octanol/air (Koa) model:  1.4E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.53E-005 
       Mackay model           :  5.61E-005 
       Octanol/air (Koa) model:  1.12E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 168.5882 E-12 cm3/molecule-sec
      Half-Life =     0.063 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.761 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    44.137501 E-17 cm3/molecule-sec
      Half-Life =     0.026 Days (at 7E11 mol/cm3)
      Half-Life =     37.389 Min
   Fraction sorbed to airborne particulates (phi):
      4.07E-005 (Junge-Pankow, Mackay avg)
      1.12E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2481  L/kg (MCI method)
      Log Koc:  3.395       (MCI method)
      Koc    :  4138  L/kg (Kow method)
      Log Koc:  3.617       (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 = 2.986 (BCF = 967.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1092 days (HL = 12.86 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.513 (BCF = 3261)
   Log BAF Arnot-Gobas method (upper trophic) = 3.721 (BAF = 5259)
       log Kow used: 5.03 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00459 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.649  hours
    Half-Life from Model Lake :      138.4  hours   (5.768 days)
 
 Removal In Wastewater Treatment:
    Total removal:              86.26  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    67.36  percent
    Total to Air:               18.41  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0752          0.442        1000       
   Water     14.3            900          1000       
   Soil      83.6            1.8e+003     1000       
   Sediment  2.01            8.1e+003     0          
     Persistence Time: 567 hr