CAS Number: 3025-32-9
SMILES : CCCCCC=CC=CC(=O)OCCC
CHEM   : 
MOL FOR: C13 H22 O2 
MOL WT : 210.32
------------------------------ 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) =  4.85
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  275.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00701  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.935  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.769
       log Kow used: 4.85 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.6801 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.00E-003  atm-m3/mole  (1.01E+002 Pa-m3/mole)
   Group Method:   1.81E-004  atm-m3/mole  (1.84E+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:  7.006E-004 atm-m3/mole  (7.099E+001 Pa-m3/mole)
      VP:   0.00701 mm Hg (source: MPBPVP)
      WS:   2.77 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.85  (KowWin est)
  Log Kaw used:  -1.388  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.238
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9300
   Biowin2 (Non-Linear Model)     :   0.9974
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1729  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0423  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7523
   Biowin6 (MITI Non-Linear Model):   0.8362
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3929
 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):  0.971 Pa (0.00728 mm Hg)
  Log Koa (Koawin est  ): 6.238
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.09E-006 
       Octanol/air (Koa) model:  4.25E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000112 
       Mackay model           :  0.000247 
       Octanol/air (Koa) model:  3.4E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  58.1452 E-12 cm3/molecule-sec
      Half-Life =     0.184 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.207 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.265000 E-17 cm3/molecule-sec
      Half-Life =     0.218 Days (at 7E11 mol/cm3)
      Half-Life =      5.224 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000179 (Junge-Pankow, Mackay avg)
      3.4E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1296  L/kg (MCI method)
      Log Koc:  3.113       (MCI method)
      Koc    :  3485  L/kg (Kow method)
      Log Koc:  3.542       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  7.497E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.929  years  
  Kb Half-Life at pH 7:      29.295  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.870 (BCF = 740.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2802 days (HL = 0.5246 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.330 (BCF = 214)
   Log BAF Arnot-Gobas method (upper trophic) = 2.331 (BAF = 214.2)
       log Kow used: 4.85 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000181 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      6.171  hours
    Half-Life from Model Lake :      188.9  hours   (7.872 days)
 
 Removal In Wastewater Treatment:
    Total removal:              73.34  percent
    Total biodegradation:        0.62  percent
    Total sludge adsorption:    70.74  percent
    Total to Air:                1.98  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.339           2.39         1000       
   Water     19.9            360          1000       
   Soil      78.9            720          1000       
   Sediment  0.878           3.24e+003    0          
     Persistence Time: 424 hr