CAS Num: 000505-32-8
SMILES : OC(C=C)(CCCC(CCCC(CCCC(C)C)C)C)C
CHEM   : 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl-
MOL FOR: C20 H40 O1 
MOL WT : 296.54
------------------------------ 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) =  8.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  334.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  70.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.41E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00188  (Modified Grain method)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  126.5 @ 0.06 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.003893
       log Kow used: 8.23 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0075269 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 :   6.92E-004  atm-m3/mole  (7.02E+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:  1.413E-003 atm-m3/mole  (1.432E+002 Pa-m3/mole)
      VP:   1.41E-005 mm Hg (source: MPBPVP)
      WS:   0.00389 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.23  (KowWin est)
  Log Kaw used:  -1.548  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.778
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4224
   Biowin2 (Non-Linear Model)     :   0.0509
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3317  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2665  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2109
   Biowin6 (MITI Non-Linear Model):   0.1316
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3802
 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):  0.00188 Pa (1.41E-005 mm Hg)
  Log Koa (Koawin est  ): 9.778
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0016 
       Octanol/air (Koa) model:  0.00147 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0545 
       Mackay model           :  0.113 
       Octanol/air (Koa) model:  0.105 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.5521 E-12 cm3/molecule-sec
      Half-Life =     0.207 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.490 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      0.0839 (Junge-Pankow, Mackay avg)
      0.105 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.357E+004  L/kg (MCI method)
      Log Koc:  4.372       (MCI method)
      Koc    :  1.164E+005  L/kg (Kow method)
      Log Koc:  5.066       (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 = 2.925 (BCF = 840.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0997 days (HL = 12.58 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.136 (BCF = 136.7)
   Log BAF Arnot-Gobas method (upper trophic) = 4.389 (BAF = 2.449e+004)
       log Kow used: 8.23 (estimated)

 Volatilization from Water:
    Henry LC:  0.000692 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.214  hours
    Half-Life from Model Lake :      179.5  hours   (7.477 days)

 Removal In Wastewater Treatment:
    Total removal:              94.02  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.24  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.228           4.83         1000       
   Water     16              900          1000       
   Soil      81.4            1.8e+003     1000       
   Sediment  2.35            8.1e+003     0          
     Persistence Time: 1.05e+003 hr