CAS Number: 13741-21-4
SMILES : CC(C)(C=CCC(C)(C=C)O)O
CHEM   : 
MOL FOR: C10 H18 O2 
MOL WT : 170.25
------------------------------ 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) =  2.16
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  245.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  39.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0019  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.253  (Modified Grain method)
    Subcooled liquid VP: 0.00256 mm Hg (25 deg C, Mod-Grain method)
                       : 0.341 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  884.6
       log Kow used: 2.16 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  28482 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.27E-007  atm-m3/mole  (8.37E-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:  4.811E-007 atm-m3/mole  (4.875E-002 Pa-m3/mole)
      VP:   0.0019 mm Hg (source: MPBPVP)
      WS:   885 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.16  (KowWin est)
  Log Kaw used:  -4.471  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.631
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2986
   Biowin2 (Non-Linear Model)     :   0.0544
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3987  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2952  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4225
   Biowin6 (MITI Non-Linear Model):   0.2767
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4127
 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):  0.341 Pa (0.00256 mm Hg)
  Log Koa (Koawin est  ): 6.631
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.79E-006 
       Octanol/air (Koa) model:  1.05E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000317 
       Mackay model           :  0.000703 
       Octanol/air (Koa) model:  8.4E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  88.0796 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  95.6796 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.457 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.341 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.743750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.312500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.541 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    20.955 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.00051 (Junge-Pankow, Mackay avg)
      8.4E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  19.81  L/kg (Kow method)
      Log Koc:  1.297       (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 = 1.089 (BCF = 12.28 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6543 days (HL = 0.2217 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.111 (BCF = 12.9)
   Log BAF Arnot-Gobas method (upper trophic) = 1.111 (BAF = 12.9)
       log Kow used: 2.16 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.27E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      925.1  hours   (38.54 days)
    Half-Life from Model Lake :  1.02E+004  hours   (425 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.47  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.32  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.213           2.7          1000       
   Water     43.8            900          1000       
   Soil      55.9            1.8e+003     1000       
   Sediment  0.105           8.1e+003     0          
     Persistence Time: 642 hr