CAS Number: 13049-88-2
SMILES : CC(=O)OCCC=CCCCCC
CHEM   : [(Z)-non-3-enyl] acetate
MOL FOR: C11 H20 O2 
MOL WT : 184.28
------------------------------ 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) =  4.09
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  235.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  0.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0592  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  7.89  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  16.97
       log Kow used: 4.09 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  31.375 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.49E-003  atm-m3/mole  (1.51E+002 Pa-m3/mole)
   Group Method:   4.66E-004  atm-m3/mole  (4.72E+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:  8.459E-004 atm-m3/mole  (8.571E+001 Pa-m3/mole)
      VP:   0.0592 mm Hg (source: MPBPVP)
      WS:   17 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.09  (KowWin est)
  Log Kaw used:  -1.215  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.305
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9424
   Biowin2 (Non-Linear Model)     :   0.9982
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2305  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0799  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8173
   Biowin6 (MITI Non-Linear Model):   0.9109
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5400
 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):  7.51 Pa (0.0563 mm Hg)
  Log Koa (Koawin est  ): 5.305
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4E-007 
       Octanol/air (Koa) model:  4.95E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.44E-005 
       Mackay model           :  3.2E-005 
       Octanol/air (Koa) model:  3.96E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.7201 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  72.3201 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.983 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.775 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.32E-005 (Junge-Pankow, Mackay avg)
      3.96E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  372.8  L/kg (MCI method)
      Log Koc:  2.571       (MCI method)
      Koc    :  1324  L/kg (Kow method)
      Log Koc:  3.122       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.412E-002  L/mol-sec
  Kb Half-Life at pH 8:      85.228  days   
  Kb Half-Life at pH 7:       2.333  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.364 (BCF = 231 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6469 days (HL = 0.2255 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.952 (BCF = 89.6)
   Log BAF Arnot-Gobas method (upper trophic) = 1.952 (BAF = 89.61)
       log Kow used: 4.09 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000466 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      3.091  hours
    Half-Life from Model Lake :      147.5  hours   (6.148 days)
 
 Removal In Wastewater Treatment:
    Total removal:              43.58  percent
    Total biodegradation:        0.31  percent
    Total sludge adsorption:    31.89  percent
    Total to Air:               11.38  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.283           1.38         1000       
   Water     21.1            360          1000       
   Soil      78.3            720          1000       
   Sediment  0.326           3.24e+003    0          
     Persistence Time: 355 hr