CAS Number: 85136-10-3
SMILES : CC(C(C)(CC=C(C)C)C=C)O
CHEM   : 3-ethenyl-3,6-dimethylhept-5-en-2-ol
MOL FOR: C11 H20 O1 
MOL WT : 168.28
------------------------------ 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) =  3.80
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  220.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0207  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.76  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  115.5
       log Kow used: 3.80 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  376.56 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.61E-005  atm-m3/mole  (5.69E+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:  3.968E-005 atm-m3/mole  (4.021E+000 Pa-m3/mole)
      VP:   0.0207 mm Hg (source: MPBPVP)
      WS:   116 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.80  (KowWin est)
  Log Kaw used:  -2.639  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.439
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6422
   Biowin2 (Non-Linear Model)     :   0.5034
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7751  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5810  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4654
   Biowin6 (MITI Non-Linear Model):   0.3994
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1176
 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):  2.53 Pa (0.019 mm Hg)
  Log Koa (Koawin est  ): 6.439
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.18E-006 
       Octanol/air (Koa) model:  6.75E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.28E-005 
       Mackay model           :  9.47E-005 
       Octanol/air (Koa) model:  5.4E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 123.4471 E-12 cm3/molecule-sec
      Half-Life =     0.087 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.040 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.174999 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.222 Min
   Fraction sorbed to airborne particulates (phi):
      6.87E-005 (Junge-Pankow, Mackay avg)
      5.4E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  128.1  L/kg (MCI method)
      Log Koc:  2.108       (MCI method)
      Koc    :  412.6  L/kg (Kow method)
      Log Koc:  2.616       (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 = 2.174 (BCF = 149.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0477 days (HL = 1.116 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.439 (BCF = 275.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.440 (BAF = 275.2)
       log Kow used: 3.80 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.61E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      14.86  hours
    Half-Life from Model Lake :      270.9  hours   (11.29 days)
 
 Removal In Wastewater Treatment:
    Total removal:              23.85  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    21.32  percent
    Total to Air:                2.28  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0704          0.488        1000       
   Water     26              360          1000       
   Soil      73.8            720          1000       
   Sediment  0.179           3.24e+003    0          
     Persistence Time: 404 hr