CAS Number: 1370711-06-0
SMILES : CCC(C(C)C)OC(=O)C=CC
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) =  3.45
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  192.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -32.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.513  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  68.4  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  69.56
       log Kow used: 3.45 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  280.36 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.97E-004  atm-m3/mole  (6.05E+001 Pa-m3/mole)
   Group Method:   4.88E-004  atm-m3/mole  (4.95E+001 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.652E-003 atm-m3/mole  (1.674E+002 Pa-m3/mole)
      VP:   0.513 mm Hg (source: MPBPVP)
      WS:   69.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.45  (KowWin est)
  Log Kaw used:  -1.612  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.062
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8407
   Biowin2 (Non-Linear Model)     :   0.9907
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9631  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8311  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5115
   Biowin6 (MITI Non-Linear Model):   0.6038
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2369
 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):  62.4 Pa (0.468 mm Hg)
  Log Koa (Koawin est  ): 5.062
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.81E-008 
       Octanol/air (Koa) model:  2.83E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.74E-006 
       Mackay model           :  3.85E-006 
       Octanol/air (Koa) model:  2.27E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.6089 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  31.2689 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    4.486 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    4.105 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):
      2.79E-006 (Junge-Pankow, Mackay avg)
      2.27E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  169.3  L/kg (MCI method)
      Log Koc:  2.229       (MCI method)
      Koc    :  585.9  L/kg (Kow method)
      Log Koc:  2.768       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.326E-004  L/mol-sec
  Kb Half-Life at pH 8:      23.550  years  
  Kb Half-Life at pH 7:     235.501  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.943 (BCF = 87.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8544 days (HL = 0.1398 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.693 (BCF = 49.27)
   Log BAF Arnot-Gobas method (upper trophic) = 1.693 (BAF = 49.27)
       log Kow used: 3.45 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000488 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.897  hours
    Half-Life from Model Lake :        141  hours   (5.875 days)
 
 Removal In Wastewater Treatment:
    Total removal:              26.81  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    10.80  percent
    Total to Air:               15.86  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.81            7.57         1000       
   Water     24.7            360          1000       
   Soil      73.3            720          1000       
   Sediment  0.208           3.24e+003    0          
     Persistence Time: 306 hr