CAS Number: 29606-76-6
SMILES : CC(C)C12CC(C(=C)C1C2)O
CHEM   : (1S,3R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
MOL FOR: C10 H16 O1 
MOL WT : 152.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  3.15
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  207.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0403  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.37  (Modified Grain method)
    BP  (exp database):  208 deg C
    Subcooled liquid VP: 0.041 mm Hg (25 deg C, Mod-Grain method)
                       : 5.47 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  489
       log Kow used: 3.15 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  527.68 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 :   5.90E-006  atm-m3/mole  (5.98E-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:  1.651E-005 atm-m3/mole  (1.673E+000 Pa-m3/mole)
      VP:   0.0403 mm Hg (source: MPBPVP)
      WS:   489 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.15  (KowWin est)
  Log Kaw used:  -3.618  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.768
      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)    :   0.5149
   Biowin6 (MITI Non-Linear Model):   0.4364
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0015
 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):  5.47 Pa (0.041 mm Hg)
  Log Koa (Koawin est  ): 6.768
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.49E-007 
       Octanol/air (Koa) model:  1.44E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.98E-005 
       Mackay model           :  4.39E-005 
       Octanol/air (Koa) model:  0.000115 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  60.5760 E-12 cm3/molecule-sec
      Half-Life =     0.177 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.119 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.19E-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    :  84.83  L/kg (MCI method)
      Log Koc:  1.929       (MCI method)
      Koc    :  180.3  L/kg (Kow method)
      Log Koc:  2.256       (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 = 1.746 (BCF = 55.72 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0430 days (HL = 1.104 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.054 (BCF = 113.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.054 (BAF = 113.2)
       log Kow used: 3.15 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.9E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      123.7  hours   (5.154 days)
    Half-Life from Model Lake :       1453  hours   (60.54 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.49  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.04  percent
    Total to Air:                0.31  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.399           3.58         1000       
   Water     28.7            360          1000       
   Soil      70.8            720          1000       
   Sediment  0.151           3.24e+003    0          
     Persistence Time: 429 hr