CAS Number: 10486-26-7
SMILES : O=C(OC(C=C(C(C(C1C)CC2=C(C)C)C2)C)C1)CC
CHEM   : 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethyl
         idene)-, propanoate
MOL FOR: C18 H28 O2 
MOL WT : 276.42
------------------------------ EPI SUMMARY (v4.11) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  6.28
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  337.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  84.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.07E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00943  (Modified Grain method)
    Subcooled liquid VP: 0.00026 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0347 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.07348
       log Kow used: 6.28 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.36155 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.04E-003  atm-m3/mole  (3.08E+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:  3.500E-004 atm-m3/mole  (3.546E+001 Pa-m3/mole)
      VP:   7.07E-005 mm Hg (source: MPBPVP)
      WS:   0.0735 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.28  (KowWin est)
  Log Kaw used:  -0.906  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.186
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7901
   Biowin2 (Non-Linear Model)     :   0.9594
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7285  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6779  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4001
   Biowin6 (MITI Non-Linear Model):   0.0944
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3603
 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):  0.0347 Pa (0.00026 mm Hg)
  Log Koa (Koawin est  ): 7.186
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.65E-005 
       Octanol/air (Koa) model:  3.77E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00312 
       Mackay model           :  0.00688 
       Octanol/air (Koa) model:  0.000301 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 211.7574 E-12 cm3/molecule-sec
      Half-Life =     0.051 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.606 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   163.000000 E-17 cm3/molecule-sec
      Half-Life =     0.007 Days (at 7E11 mol/cm3)
      Half-Life =     10.124 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.005 (Junge-Pankow, Mackay avg)
      0.000301 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.631E+004  L/kg (MCI method)
      Log Koc:  4.212       (MCI method)
      Koc    :  2.154E+004  L/kg (Kow method)
      Log Koc:  4.333       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.591E-002  L/mol-sec
  Kb Half-Life at pH 8:     309.658  days   
  Kb Half-Life at pH 7:       8.478  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 3.807 (BCF = 6418 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2576 days (HL = 18.1 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.638 (BCF = 4347)
   Log BAF Arnot-Gobas method (upper trophic) = 4.901 (BAF = 7.956e+004)
       log Kow used: 6.28 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00304 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.017  hours
    Half-Life from Model Lake :      161.4  hours   (6.725 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.24  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    91.30  percent
    Total to Air:                1.19  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0119          0.148        1000       
   Water     8.89            900          1000       
   Soil      83.4            1.8e+003     1000       
   Sediment  7.66            8.1e+003     0          
     Persistence Time: 957 hr