CAS Number: 40326-01-0
SMILES : CC(CCCC(=C)C)CO
CHEM   : 2,6-dimethylhept-6-en-1-ol
MOL FOR: C9 H18 O1 
MOL WT : 142.24
------------------------------ 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) =  3.14
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  201.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -23.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0668  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  8.9  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  549
       log Kow used: 3.14 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  693.22 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.62E-005  atm-m3/mole  (3.67E+000 Pa-m3/mole)
   Group Method:   2.18E-005  atm-m3/mole  (2.21E+000 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.277E-005 atm-m3/mole  (2.307E+000 Pa-m3/mole)
      VP:   0.0668 mm Hg (source: MPBPVP)
      WS:   549 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.14  (KowWin est)
  Log Kaw used:  -2.830  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.970
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8386
   Biowin2 (Non-Linear Model)     :   0.8915
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0448  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7720  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6103
   Biowin6 (MITI Non-Linear Model):   0.7572
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6008
 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):  8 Pa (0.06 mm Hg)
  Log Koa (Koawin est  ): 5.970
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.75E-007 
       Octanol/air (Koa) model:  2.29E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.35E-005 
       Mackay model           :  3E-005 
       Octanol/air (Koa) model:  1.83E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  62.7741 E-12 cm3/molecule-sec
      Half-Life =     0.170 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.045 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):
      2.18E-005 (Junge-Pankow, Mackay avg)
      1.83E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  51.66  L/kg (MCI method)
      Log Koc:  1.713       (MCI method)
      Koc    :  178  L/kg (Kow method)
      Log Koc:  2.250       (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 = 1.741 (BCF = 55.03 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4040 days (HL = 0.3944 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.887 (BCF = 77.15)
   Log BAF Arnot-Gobas method (upper trophic) = 1.887 (BAF = 77.15)
       log Kow used: 3.14 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.62E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      20.51  hours
    Half-Life from Model Lake :      323.7  hours   (13.49 days)
 
 Removal In Wastewater Treatment:
    Total removal:               8.82  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.86  percent
    Total to Air:                1.82  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.501           3.47         1000       
   Water     30.2            360          1000       
   Soil      69.2            720          1000       
   Sediment  0.12            3.24e+003    0          
     Persistence Time: 385 hr