CAS Number: 41610-76-8
SMILES : O=C(OC(C=C)(CCC(O1)C1(C)C)C)C
CHEM   : Oxiranepropanol, a-ethenyl-a,3,3-trimethyl-, acetate
MOL FOR: C12 H20 O3 
MOL WT : 212.29
------------------------------ 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) =  2.99
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  239.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  42.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0312  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.15  (Modified Grain method)
    Subcooled liquid VP: 0.0451 mm Hg (25 deg C, Mod-Grain method)
                       : 6.01 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  105.3
       log Kow used: 2.99 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  347.27 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Epoxides, mono
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.06E-006  atm-m3/mole  (2.08E-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:  8.276E-005 atm-m3/mole  (8.386E+000 Pa-m3/mole)
      VP:   0.0312 mm Hg (source: MPBPVP)
      WS:   105 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.99  (KowWin est)
  Log Kaw used:  -4.075  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.065
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1054
   Biowin2 (Non-Linear Model)     :   0.0572
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4373  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4538  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6925
   Biowin6 (MITI Non-Linear Model):   0.6051
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3652
 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):  6.01 Pa (0.0451 mm Hg)
  Log Koa (Koawin est  ): 7.065
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.99E-007 
       Octanol/air (Koa) model:  2.85E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.8E-005 
       Mackay model           :  3.99E-005 
       Octanol/air (Koa) model:  0.000228 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.3064 E-12 cm3/molecule-sec
      Half-Life =     0.342 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.100 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):
      2.9E-005 (Junge-Pankow, Mackay avg)
      0.000228 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  93.45  L/kg (MCI method)
      Log Koc:  1.971       (MCI method)
      Koc    :  264.7  L/kg (Kow method)
      Log Koc:  2.423       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.610E-002  L/mol-sec
  Kb Half-Life at pH 8:     174.013  days   
  Kb Half-Life at pH 7:       4.764  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
  Total Ka (acid-catalyzed) at 25 deg C :  1.197E+000  L/mol-sec
  Ka Half-Life at pH 7:      67.037  days   
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.641 (BCF = 43.76 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2046 days (HL = 0.06243 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.313 (BCF = 20.58)
   Log BAF Arnot-Gobas method (upper trophic) = 1.313 (BAF = 20.58)
       log Kow used: 2.99 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.06E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      415.6  hours   (17.32 days)
    Half-Life from Model Lake :       4656  hours   (194 days)
 
 Removal In Wastewater Treatment:
    Total removal:               5.71  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.48  percent
    Total to Air:                0.11  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.391           7.79         1000       
   Water     25              900          1000       
   Soil      74.5            1.8e+003     1000       
   Sediment  0.16            8.1e+003     0          
     Persistence Time: 896 hr