CAS Number: 211238-85-6
SMILES : CC(C(=O)OCCC(C)CCC=C(C)C)O
CHEM   : 
MOL FOR: C13 H24 O3 
MOL WT : 228.33
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  3.51
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  300.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  28.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000124  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0166  (Modified Grain method)
    Subcooled liquid VP: 0.000133 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0177 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  100.4
       log Kow used: 3.51 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  367.6 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.83E-004  atm-m3/mole  (4.89E+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:  3.711E-007 atm-m3/mole  (3.760E-002 Pa-m3/mole)
      VP:   0.000124 mm Hg (source: MPBPVP)
      WS:   100 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.51  (KowWin est)
  Log Kaw used:  -1.705  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.215
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9718
   Biowin2 (Non-Linear Model)     :   0.9931
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9948  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8767  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6419
   Biowin6 (MITI Non-Linear Model):   0.7328
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5211
 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):  0.0177 Pa (0.000133 mm Hg)
  Log Koa (Koawin est  ): 5.215
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000169 
       Octanol/air (Koa) model:  4.03E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00607 
       Mackay model           :  0.0134 
       Octanol/air (Koa) model:  3.22E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  98.4995 E-12 cm3/molecule-sec
      Half-Life =     0.109 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.303 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00971 (Junge-Pankow, Mackay avg)
      3.22E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  72.18  L/kg (MCI method)
      Log Koc:  1.858       (MCI method)
      Koc    :  245.2  L/kg (Kow method)
      Log Koc:  2.390       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.482E-001  L/mol-sec
  Kb Half-Life at pH 8:       8.460  days   
  Kb Half-Life at pH 7:      84.602  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.985 (BCF = 96.65 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0713 days (HL = 0.08486 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.517 (BCF = 32.85)
   Log BAF Arnot-Gobas method (upper trophic) = 1.517 (BAF = 32.85)
       log Kow used: 3.51 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000483 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.374  hours
    Half-Life from Model Lake :      163.5  hours   (6.813 days)
 
 Removal In Wastewater Treatment:
    Total removal:              27.69  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    12.03  percent
    Total to Air:               15.50  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.191           0.514        1000       
   Water     32.3            360          1000       
   Soil      67.4            720          1000       
   Sediment  0.154           3.24e+003    0          
     Persistence Time: 238 hr