CAS Num: 000515-00-4
SMILES : OCC(C(CC1C2)C1(C)C)=C2
CHEM   : Bicyclo 3.1.1 hept-2-ene-2-methanol, 6,6-dimethyl-
MOL FOR: C10 H16 O1 
MOL WT : 152.24
------------------------------ 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) =  2.80
    Log Kow (Exper. database match) =  3.22
       Exper. Ref:  GRIFFIN,S ET AL. (1999)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  232.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  38.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0137  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.82  (Modified Grain method)
    BP  (exp database):  221.5 deg C
    Subcooled liquid VP: 0.0182 mm Hg (25 deg C, Mod-Grain method)
                       : 2.42 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  426.9
       log Kow used: 3.22 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  673.21 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 :   6.96E-006  atm-m3/mole  (7.05E-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:  6.428E-006 atm-m3/mole  (6.514E-001 Pa-m3/mole)
      VP:   0.0137 mm Hg (source: MPBPVP)
      WS:   427 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.22  (exp database)
  Log Kaw used:  -3.546  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.766
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6499
   Biowin2 (Non-Linear Model)     :   0.5601
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8106  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6041  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6088
   Biowin6 (MITI Non-Linear Model):   0.5609
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2668
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.43 Pa (0.0182 mm Hg)
  Log Koa (Koawin est  ): 6.766
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.24E-006 
       Octanol/air (Koa) model:  1.43E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.47E-005 
       Mackay model           :  9.89E-005 
       Octanol/air (Koa) model:  0.000115 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  94.0207 E-12 cm3/molecule-sec
      Half-Life =     0.114 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.365 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      7.18E-005 (Junge-Pankow, Mackay avg)
      0.000115 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  93.6  L/kg (MCI method)
      Log Koc:  1.971       (MCI method)
      Koc    :  197.1  L/kg (Kow method)
      Log Koc:  2.295       (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 = 1.792 (BCF = 61.88 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1808 days (HL = 1.516 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.139 (BCF = 137.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.140 (BAF = 137.9)
       log Kow used: 3.22 (expkow database)

 Volatilization from Water:
    Henry LC:  6.96E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      105.1  hours   (4.377 days)
    Half-Life from Model Lake :       1249  hours   (52.06 days)

 Removal In Wastewater Treatment:
    Total removal:               8.41  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.90  percent
    Total to Air:                0.36  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0609          0.518        1000       
   Water     28.4            360          1000       
   Soil      71.4            720          1000       
   Sediment  0.159           3.24e+003    0          
     Persistence Time: 428 hr