CAS Num: 063468-05-3
SMILES : OC(C)(C)C=CC
CHEM   : 
MOL FOR: C6 H12 O1 
MOL WT : 100.16
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.50

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  125.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -48.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  10.7  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.43E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  112 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.991e+004
       log Kow used: 1.50 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  38088 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.55E-005  atm-m3/mole  (1.57E+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:  7.083E-005 atm-m3/mole  (7.176E+000 Pa-m3/mole)
      VP:   10.7 mm Hg (source: MPBPVP)
      WS:   1.99E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.50  (KowWin est)
  Log Kaw used:  -3.198  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.698
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5159
   Biowin2 (Non-Linear Model)     :   0.4659
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7657  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5498  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4954
   Biowin6 (MITI Non-Linear Model):   0.5370
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1161
 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):  1.32E+003 Pa (9.92 mm Hg)
  Log Koa (Koawin est  ): 4.698
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.27E-009 
       Octanol/air (Koa) model:  1.22E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.19E-008 
       Mackay model           :  1.81E-007 
       Octanol/air (Koa) model:  9.8E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  57.7096 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  65.3096 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.224 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.965 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.568750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      1.32E-007 (Junge-Pankow, Mackay avg)
      9.8E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7.541  L/kg (MCI method)
      Log Koc:  0.877       (MCI method)
      Koc    :  22.05  L/kg (Kow method)
      Log Koc:  1.343       (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 = 0.655 (BCF = 4.516 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6992 days (HL = 0.1999 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.577 (BCF = 3.779)
   Log BAF Arnot-Gobas method (upper trophic) = 0.577 (BAF = 3.779)
       log Kow used: 1.50 (estimated)

 Volatilization from Water:
    Henry LC:  1.55E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      38.82  hours   (1.618 days)
    Half-Life from Model Lake :      507.5  hours   (21.14 days)

 Removal In Wastewater Treatment:
    Total removal:               2.81  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.87  percent
    Total to Air:                0.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.653           4.07         1000       
   Water     41.8            360          1000       
   Soil      57.4            720          1000       
   Sediment  0.0899          3.24e+003    0          
     Persistence Time: 339 hr