CAS Number: 22094-00-4
SMILES : CCOCC=C(C)C
CHEM   : 1-ethoxy-3-methylbut-2-ene
MOL FOR: C7 H14 O1 
MOL WT : 114.19
------------------------------ 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) =  2.36
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  121.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -71.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  17.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.34E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1009
       log Kow used: 2.36 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6522 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 :   3.69E-003  atm-m3/mole  (3.74E+002 Pa-m3/mole)
   Group Method:   1.34E-003  atm-m3/mole  (1.36E+002 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:  2.621E-003 atm-m3/mole  (2.656E+002 Pa-m3/mole)
      VP:   17.6 mm Hg (source: MPBPVP)
      WS:   1.01E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.36  (KowWin est)
  Log Kaw used:  -0.821  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.181
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3458
   Biowin2 (Non-Linear Model)     :   0.1148
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9382  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6732  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4802
   Biowin6 (MITI Non-Linear Model):   0.5169
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3186
 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):  2.19E+003 Pa (16.4 mm Hg)
  Log Koa (Koawin est  ): 3.181
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.37E-009 
       Octanol/air (Koa) model:  3.72E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.96E-008 
       Mackay model           :  1.1E-007 
       Octanol/air (Koa) model:  2.98E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  99.0428 E-12 cm3/molecule-sec
      Half-Life =     0.108 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.296 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      7.97E-008 (Junge-Pankow, Mackay avg)
      2.98E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  49.38  L/kg (MCI method)
      Log Koc:  1.694       (MCI method)
      Koc    :  138  L/kg (Kow method)
      Log Koc:  2.140       (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 = 1.227 (BCF = 16.85 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2441 days (HL = 0.57 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.351 (BCF = 22.46)
   Log BAF Arnot-Gobas method (upper trophic) = 1.351 (BAF = 22.46)
       log Kow used: 2.36 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00134 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.557  hours
    Half-Life from Model Lake :      106.6  hours   (4.441 days)
 
 Removal In Wastewater Treatment:
    Total removal:              37.05  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.99  percent
    Total to Air:               34.99  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.389           0.513        1000       
   Water     49.4            360          1000       
   Soil      50              720          1000       
   Sediment  0.191           3.24e+003    0          
     Persistence Time: 138 hr