CAS Number: 91-87-2
SMILES : O(C(OC)C(=Cc(cccc1)c1)CCCCC)C
CHEM   : Benzene,  2-(dimethoxymethyl)-1-heptenyl -
MOL FOR: C16 H24 O2 
MOL WT : 248.37
------------------------------ 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) =  4.72
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  317.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  43.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000511  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0681  (Modified Grain method)
    Subcooled liquid VP: 0.00075 mm Hg (25 deg C, Mod-Grain method)
                       : 0.1 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.257
       log Kow used: 4.72 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.2284 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.45E-005  atm-m3/mole  (1.47E+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:  7.399E-005 atm-m3/mole  (7.497E+000 Pa-m3/mole)
      VP:   0.000511 mm Hg (source: MPBPVP)
      WS:   2.26 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.72  (KowWin est)
  Log Kaw used:  -3.227  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.947
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1711
   Biowin2 (Non-Linear Model)     :   0.0233
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9533  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7439  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1717
   Biowin6 (MITI Non-Linear Model):   0.0722
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6292
 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):  0.1 Pa (0.00075 mm Hg)
  Log Koa (Koawin est  ): 7.947
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3E-005 
       Octanol/air (Koa) model:  2.17E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00108 
       Mackay model           :  0.00239 
       Octanol/air (Koa) model:  0.00174 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 102.7838 E-12 cm3/molecule-sec
      Half-Life =     0.104 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.249 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    88.724998 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     18.599 Min
   Fraction sorbed to airborne particulates (phi):
      0.00174 (Junge-Pankow, Mackay avg)
      0.00174 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2822  L/kg (MCI method)
      Log Koc:  3.451       (MCI method)
      Koc    :  2263  L/kg (Kow method)
      Log Koc:  3.355       (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 = 2.780 (BCF = 602.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3045 days (HL = 2.016 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.859 (BCF = 722.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.863 (BAF = 730.2)
       log Kow used: 4.72 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.45E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      65.24  hours   (2.718 days)
    Half-Life from Model Lake :      843.9  hours   (35.16 days)
 
 Removal In Wastewater Treatment:
    Total removal:              67.02  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    66.19  percent
    Total to Air:                0.24  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0299          0.276        1000       
   Water     23.4            360          1000       
   Soil      74.4            720          1000       
   Sediment  2.1             3.24e+003    0          
     Persistence Time: 463 hr