CAS Number: 7299-40-3
SMILES : CC1(O)CCC(CC1)C(=C)C
CHEM   : 
MOL FOR: C10 H18 O1 
MOL WT : 154.25
------------------------------ 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) =  3.41
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  210.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  5.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0312  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.16  (Modified Grain method)
    MP  (exp database):  32.5 deg C
    BP  (exp database):  210 deg C
    Subcooled liquid VP: 0.0364 mm Hg (25 deg C, Mod-Grain method)
                       : 4.85 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  287.6
       log Kow used: 3.41 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2200 mg/L (15 deg C)
        Exper. Ref:  STEPHEN,H & STEPHEN,T (1963)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1328.8 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.34E-005  atm-m3/mole  (1.36E+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:  2.202E-005 atm-m3/mole  (2.231E+000 Pa-m3/mole)
      VP:   0.0312 mm Hg (source: MPBPVP)
      WS:   288 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.41  (KowWin est)
  Log Kaw used:  -3.261  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.671
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4902
   Biowin2 (Non-Linear Model)     :   0.2880
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6462  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4717  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4254
   Biowin6 (MITI Non-Linear Model):   0.3507
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2449
 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):  4.85 Pa (0.0364 mm Hg)
  Log Koa (Koawin est  ): 6.671
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.18E-007 
       Octanol/air (Koa) model:  1.15E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.23E-005 
       Mackay model           :  4.94E-005 
       Octanol/air (Koa) model:  9.21E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  66.6850 E-12 cm3/molecule-sec
      Half-Life =     0.160 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.925 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.59E-005 (Junge-Pankow, Mackay avg)
      9.21E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  78.42  L/kg (MCI method)
      Log Koc:  1.894       (MCI method)
      Koc    :  251.1  L/kg (Kow method)
      Log Koc:  2.400       (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 = 1.917 (BCF = 82.64 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0974 days (HL = 0.7991 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.176 (BCF = 150)
   Log BAF Arnot-Gobas method (upper trophic) = 2.176 (BAF = 150)
       log Kow used: 3.41 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.34E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      55.53  hours   (2.314 days)
    Half-Life from Model Lake :      709.9  hours   (29.58 days)
 
 Removal In Wastewater Treatment:
    Total removal:              11.77  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    10.93  percent
    Total to Air:                0.67  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.214           3.3          1000       
   Water     25.8            900          1000       
   Soil      73.9            1.8e+003     1000       
   Sediment  0.146           8.1e+003     0          
     Persistence Time: 825 hr