CAS Number: 22626-43-3
SMILES : OC1C(=C)CCC(C(=C)C)C1
CHEM   : (1R,5R)-2-methylidene-5-(prop-1-en-2-yl)cyclohexanol
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) =  3.37
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  224.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  4.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0164  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.18  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  319.2
       log Kow used: 3.37 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  944.49 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 :   1.18E-005  atm-m3/mole  (1.19E+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:  1.029E-005 atm-m3/mole  (1.043E+000 Pa-m3/mole)
      VP:   0.0164 mm Hg (source: MPBPVP)
      WS:   319 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.37  (KowWin est)
  Log Kaw used:  -3.317  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.687
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8338
   Biowin2 (Non-Linear Model)     :   0.8770
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0227  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7575  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5296
   Biowin6 (MITI Non-Linear Model):   0.4302
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3140
 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):  2.01 Pa (0.0151 mm Hg)
  Log Koa (Koawin est  ): 6.687
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.49E-006 
       Octanol/air (Koa) model:  1.19E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.38E-005 
       Mackay model           :  0.000119 
       Octanol/air (Koa) model:  9.55E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 118.3376 E-12 cm3/molecule-sec
      Half-Life =     0.090 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.085 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.400000 E-17 cm3/molecule-sec
      Half-Life =     0.477 Days (at 7E11 mol/cm3)
      Half-Life =     11.460 Hrs
   Fraction sorbed to airborne particulates (phi):
      8.65E-005 (Junge-Pankow, Mackay avg)
      9.55E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  88.15  L/kg (MCI method)
      Log Koc:  1.945       (MCI method)
      Koc    :  238.6  L/kg (Kow method)
      Log Koc:  2.378       (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 = 1.889 (BCF = 77.46 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0005 days (HL = 1.001 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.191 (BCF = 155.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.191 (BAF = 155.3)
       log Kow used: 3.37 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.18E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      62.48  hours   (2.603 days)
    Half-Life from Model Lake :      785.1  hours   (32.71 days)
 
 Removal In Wastewater Treatment:
    Total removal:              10.96  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    10.20  percent
    Total to Air:                0.60  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.217           1.82         1000       
   Water     28.4            360          1000       
   Soil      71.3            720          1000       
   Sediment  0.153           3.24e+003    0          
     Persistence Time: 423 hr