CAS Number: 2146-71-6
SMILES : O=C(OC=C)CCCCCCCCCCC
CHEM   : 
MOL FOR: C14 H26 O2 
MOL WT : 226.36
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  5.64
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  279.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  23.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00533  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.711  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.4868
       log Kow used: 5.64 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.44139 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.98E-002  atm-m3/mole  (2.01E+003 Pa-m3/mole)
   Group Method:   9.52E-003  atm-m3/mole  (9.64E+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:  3.261E-003 atm-m3/mole  (3.304E+002 Pa-m3/mole)
      VP:   0.00533 mm Hg (source: MPBPVP)
      WS:   0.487 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.64  (KowWin est)
  Log Kaw used:  -0.092  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.732
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9224
   Biowin2 (Non-Linear Model)     :   0.9967
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1375  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0192  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8956
   Biowin6 (MITI Non-Linear Model):   0.9446
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6500
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.749 Pa (0.00562 mm Hg)
  Log Koa (Koawin est  ): 5.732
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4E-006 
       Octanol/air (Koa) model:  1.32E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000145 
       Mackay model           :  0.00032 
       Octanol/air (Koa) model:  1.06E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  39.2766 E-12 cm3/molecule-sec
      Half-Life =     0.272 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.268 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):
      0.000232 (Junge-Pankow, Mackay avg)
      1.06E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2361  L/kg (MCI method)
      Log Koc:  3.373       (MCI method)
      Koc    :  9531  L/kg (Kow method)
      Log Koc:  3.979       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.336E-001  L/mol-sec
  Kb Half-Life at pH 8:      60.060  days   
  Kb Half-Life at pH 7:       1.644  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.013 (BCF = 103.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3274 days (HL = 0.4706 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.263 (BCF = 183.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.265 (BAF = 184.1)
       log Kow used: 5.64 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00952 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.628  hours
    Half-Life from Model Lake :      143.9  hours   (5.996 days)
 
 Removal In Wastewater Treatment:
    Total removal:              92.55  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    80.31  percent
    Total to Air:               11.64  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.87            6.27         1000       
   Water     22.9            360          1000       
   Soil      73.6            720          1000       
   Sediment  1.7             3.24e+003    0          
     Persistence Time: 275 hr