CAS Number: 67920-63-2
SMILES : CC(C(=O))C1CCC(O1)(C)C=C
CHEM   : 2-(5-ethenyl-5-methyloxolan-2-yl)propanal
MOL FOR: C10 H16 O2 
MOL WT : 168.24
------------------------------ 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) =  2.00
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  218.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.141  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  18.8  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1229
       log Kow used: 2.00 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11856 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.39E-007  atm-m3/mole  (2.42E-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:  2.540E-005 atm-m3/mole  (2.573E+000 Pa-m3/mole)
      VP:   0.141 mm Hg (source: MPBPVP)
      WS:   1.23E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.00  (KowWin est)
  Log Kaw used:  -5.010  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.010
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4208
   Biowin2 (Non-Linear Model)     :   0.9339
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6289  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6385  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7127
   Biowin6 (MITI Non-Linear Model):   0.7451
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3790
 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):  17.5 Pa (0.131 mm Hg)
  Log Koa (Koawin est  ): 7.010
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.72E-007 
       Octanol/air (Koa) model:  2.51E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.2E-006 
       Mackay model           :  1.37E-005 
       Octanol/air (Koa) model:  0.000201 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  89.6650 E-12 cm3/molecule-sec
      Half-Life =     0.119 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.431 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):
      9.97E-006 (Junge-Pankow, Mackay avg)
      0.000201 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  11.17  L/kg (MCI method)
      Log Koc:  1.048       (MCI method)
      Koc    :  51.46  L/kg (Kow method)
      Log Koc:  1.711       (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 = 0.986 (BCF = 9.687 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6285 days (HL = 0.2352 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.987 (BCF = 9.701)
   Log BAF Arnot-Gobas method (upper trophic) = 0.987 (BAF = 9.701)
       log Kow used: 2.00 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.39E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3179  hours   (132.4 days)
    Half-Life from Model Lake : 3.479E+004  hours   (1449 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.26  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.15  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.201           2.81         1000       
   Water     42.4            900          1000       
   Soil      57.3            1.8e+003     1000       
   Sediment  0.103           8.1e+003     0          
     Persistence Time: 673 hr