CAS Number: 590-71-6
SMILES : CCCC=C=CC(C)(C)C=O
CHEM   : 
MOL FOR: C10 H16 O1 
MOL WT : 152.24
------------------------------ 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) =  3.33
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  204.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -9.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.292  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  39  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  106.4
       log Kow used: 3.33 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  674.56 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Aldehydes
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.34E-004  atm-m3/mole  (4.39E+001 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:  5.497E-004 atm-m3/mole  (5.570E+001 Pa-m3/mole)
      VP:   0.292 mm Hg (source: MPBPVP)
      WS:   106 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.33  (KowWin est)
  Log Kaw used:  -1.751  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.081
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8842
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9713  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9404  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8507
   Biowin6 (MITI Non-Linear Model):   0.9044
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0271
 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):  35.7 Pa (0.268 mm Hg)
  Log Koa (Koawin est  ): 5.081
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.4E-008 
       Octanol/air (Koa) model:  2.96E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.03E-006 
       Mackay model           :  6.72E-006 
       Octanol/air (Koa) model:  2.37E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  81.2857 E-12 cm3/molecule-sec
      Half-Life =     0.132 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.579 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.097500 E-17 cm3/molecule-sec
      Half-Life =    11.754 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      4.87E-006 (Junge-Pankow, Mackay avg)
      2.37E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  25.36  L/kg (MCI method)
      Log Koc:  1.404       (MCI method)
      Koc    :  344.9  L/kg (Kow method)
      Log Koc:  2.538       (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 v3.01):
   Log BCF from regression-based method = 1.864 (BCF = 73.06 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0593 days (HL = 1.146 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.186 (BCF = 153.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.187 (BAF = 153.7)
       log Kow used: 3.33 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000434 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.924  hours
    Half-Life from Model Lake :      135.4  hours   (5.64 days)
 
 Removal In Wastewater Treatment:
    Total removal:              23.83  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     8.79  percent
    Total to Air:               14.90  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.54            3.12         1000       
   Water     42.9            360          1000       
   Soil      55.4            720          1000       
   Sediment  0.124           3.24e+003    0          
     Persistence Time: 186 hr