CAS Number: 5989-05-9
SMILES : OCC=C(C(C(C1C(CC2)(C)C)CC3)(C2)C)C13
CHEM   : Ethanol, 2-(decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)-, 
          1S-(1.alpha.,3a.beta.,4.alpha.,8a.beta.) -
MOL FOR: C16 H26 O1 
MOL WT : 234.38
------------------------------ EPI SUMMARY (v4.10) --------------------------
    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) =  4.43
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  320.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  93.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.93E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00106  (Modified Grain method)
    Subcooled liquid VP: 3.65E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00486 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  15.45
       log Kow used: 4.43 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.9437 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 :   1.68E-005  atm-m3/mole  (1.70E+000 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:  1.583E-007 atm-m3/mole  (1.604E-002 Pa-m3/mole)
      VP:   7.93E-006 mm Hg (source: MPBPVP)
      WS:   15.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.43  (KowWin est)
  Log Kaw used:  -3.163  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.593
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4268
   Biowin2 (Non-Linear Model)     :   0.0661
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4169  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3321  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5040
   Biowin6 (MITI Non-Linear Model):   0.2445
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4676
 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):  0.00487 Pa (3.65E-005 mm Hg)
  Log Koa (Koawin est  ): 7.593
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000616 
       Octanol/air (Koa) model:  9.62E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0218 
       Mackay model           :  0.047 
       Octanol/air (Koa) model:  0.000769 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 101.0183 E-12 cm3/molecule-sec
      Half-Life =     0.106 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.271 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.0344 (Junge-Pankow, Mackay avg)
      0.000769 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2850  L/kg (MCI method)
      Log Koc:  3.455       (MCI method)
      Koc    :  920.5  L/kg (Kow method)
      Log Koc:  2.964       (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 = 2.588 (BCF = 387.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5892 days (HL = 3.883 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.005 (BCF = 1011)
   Log BAF Arnot-Gobas method (upper trophic) = 3.013 (BAF = 1031)
       log Kow used: 4.43 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.68E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      54.92  hours   (2.288 days)
    Half-Life from Model Lake :      727.5  hours   (30.31 days)
 
 Removal In Wastewater Treatment:
    Total removal:              52.58  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    51.67  percent
    Total to Air:                0.42  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0729          1.51         1000       
   Water     16.4            900          1000       
   Soil      80.9            1.8e+003     1000       
   Sediment  2.66            8.1e+003     0          
     Persistence Time: 1.06e+003 hr