CAS Num: 001137-12-8
SMILES : C(C(C12)C23C)C(C1C(C4)(C)C)C3(CC4)C
CHEM   : 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1.alpha.,
         2.alpha.,3a.beta.,4.alpha.,8a.beta.,9R*)]- (9CI)
MOL FOR: C15 H24 
MOL WT : 204.36
------------------------------ 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) =  5.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  227.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  44.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0859  (Modified Grain method)
    VP (Pa, 25 deg C) :  11.5  (Modified Grain method)
    Subcooled liquid VP: 0.129 mm Hg (25 deg C, Mod-Grain method)
                       : 17.2 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1974
       log Kow used: 5.60 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0040156 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.80E-001  atm-m3/mole  (2.84E+004 Pa-m3/mole)
   Group Method:   2.39E-002  atm-m3/mole  (2.42E+003 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:  1.170E-001 atm-m3/mole  (1.186E+004 Pa-m3/mole)
      VP:   0.0859 mm Hg (source: MPBPVP)
      WS:   0.197 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.60  (KowWin est)
  Log Kaw used:  1.059  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.541
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0985
   Biowin2 (Non-Linear Model)     :   0.0063
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1112  (months      )
   Biowin4 (Primary Survey Model) :   3.0926  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4374
   Biowin6 (MITI Non-Linear Model):   0.1583
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8071
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.5993
     BioHC Half-Life (days)     :  39.7455

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  17.2 Pa (0.129 mm Hg)
  Log Koa (Koawin est  ): 4.541
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.74E-007 
       Octanol/air (Koa) model:  8.53E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.3E-006 
       Mackay model           :  1.4E-005 
       Octanol/air (Koa) model:  6.82E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.3520 E-12 cm3/molecule-sec
      Half-Life =     1.144 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.725 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.01E-005 (Junge-Pankow, Mackay avg)
      6.82E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.628E+004  L/kg (MCI method)
      Log Koc:  4.212       (MCI method)
      Koc    :  7.242E+004  L/kg (Kow method)
      Log Koc:  4.860       (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 = 3.365 (BCF = 2317 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0448 days (HL = 11.09 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.542 (BCF = 3480)
   Log BAF Arnot-Gobas method (upper trophic) = 3.989 (BAF = 9747)
       log Kow used: 5.60 (estimated)

 Volatilization from Water:
    Henry LC:  0.28 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.462  hours
    Half-Life from Model Lake :      135.8  hours   (5.659 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.16  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    58.89  percent
    Total to Air:               40.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.54            27.5         1000       
   Water     26.6            1.44e+003    1000       
   Soil      33.5            2.88e+003    1000       
   Sediment  32.4            1.3e+004     0          
     Persistence Time: 317 hr