CAS Num: 000115-99-1
SMILES : O=COC(C=C)(CCC=C(C)C)C
CHEM   : 1,6-Octadien-3-ol, 3,7-dimethyl-, formate
MOL FOR: C11 H18 O2 
MOL WT : 182.26
------------------------------ 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) =  3.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  211.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -4.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.2  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  26.6  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  100-103 @ 10 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  28.25
       log Kow used: 3.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  79.028 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.38E-003  atm-m3/mole  (2.41E+002 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:  1.698E-003 atm-m3/mole  (1.720E+002 Pa-m3/mole)
      VP:   0.2 mm Hg (source: MPBPVP)
      WS:   28.3 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.84  (KowWin est)
  Log Kaw used:  -1.012  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.852
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6510
   Biowin2 (Non-Linear Model)     :   0.9414
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7245  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6603  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7061
   Biowin6 (MITI Non-Linear Model):   0.7577
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1929
 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):  24.5 Pa (0.184 mm Hg)
  Log Koa (Koawin est  ): 4.852
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.22E-007 
       Octanol/air (Koa) model:  1.75E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.42E-006 
       Mackay model           :  9.78E-006 
       Octanol/air (Koa) model:  1.4E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 116.2011 E-12 cm3/molecule-sec
      Half-Life =     0.092 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.105 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
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      7.1E-006 (Junge-Pankow, Mackay avg)
      1.4E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  282.1  L/kg (MCI method)
      Log Koc:  2.450       (MCI method)
      Koc    :  962.8  L/kg (Kow method)
      Log Koc:  2.984       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.656E+000  L/mol-sec
  Kb Half-Life at pH 8:       1.418  days   
  Kb Half-Life at pH 7:      14.183  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.200 (BCF = 158.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7043 days (HL = 0.1975 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.878 (BCF = 75.51)
   Log BAF Arnot-Gobas method (upper trophic) = 1.878 (BAF = 75.51)
       log Kow used: 3.84 (estimated)

 Volatilization from Water:
    Henry LC:  0.00238 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.71  hours
    Half-Life from Model Lake :      131.9  hours   (5.494 days)

 Removal In Wastewater Treatment:
    Total removal:              57.82  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    18.50  percent
    Total to Air:               39.15  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.203           0.494        1000       
   Water     31              900          1000       
   Soil      68.3            1.8e+003     1000       
   Sediment  0.495           8.1e+003     0          
     Persistence Time: 272 hr