CAS Num: 068555-53-3
SMILES : O(C(OC)CCCCC=CCC)C
CHEM   : 3-Nonene, 9,9-dimethoxy-, (Z)-
MOL FOR: C11 H22 O2 
MOL WT : 186.30
------------------------------ 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) =  3.45

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  220.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -9.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.19  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  25.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  58.56
       log Kow used: 3.45 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  260.86 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.29E-004  atm-m3/mole  (4.35E+001 Pa-m3/mole)
   Group Method:   1.62E-004  atm-m3/mole  (1.64E+001 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:  7.953E-004 atm-m3/mole  (8.059E+001 Pa-m3/mole)
      VP:   0.19 mm Hg (source: MPBPVP)
      WS:   58.6 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.45  (KowWin est)
  Log Kaw used:  -1.756  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.206
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0726
   Biowin2 (Non-Linear Model)     :   0.0095
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0685  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8285  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3709
   Biowin6 (MITI Non-Linear Model):   0.2883
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4178
 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):  23.6 Pa (0.177 mm Hg)
  Log Koa (Koawin est  ): 5.206
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.27E-007 
       Octanol/air (Koa) model:  3.94E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.59E-006 
       Mackay model           :  1.02E-005 
       Octanol/air (Koa) model:  3.16E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.2819 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  80.8819 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.751 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.587 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      7.38E-006 (Junge-Pankow, Mackay avg)
      3.16E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  146.2  L/kg (MCI method)
      Log Koc:  2.165       (MCI method)
      Koc    :  449  L/kg (Kow method)
      Log Koc:  2.652       (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 = 1.940 (BCF = 87.15 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1055 days (HL = 0.7843 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.191 (BCF = 155.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.191 (BAF = 155.4)
       log Kow used: 3.45 (estimated)

 Volatilization from Water:
    Henry LC:  0.000429 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.256  hours
    Half-Life from Model Lake :        150  hours   (6.249 days)

 Removal In Wastewater Treatment:
    Total removal:              25.43  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    10.88  percent
    Total to Air:               14.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.348           1.32         1000       
   Water     25.6            360          1000       
   Soil      73.9            720          1000       
   Sediment  0.194           3.24e+003    0          
     Persistence Time: 301 hr