CAS Number: 557-58-4
SMILES : OC(=O)CCCCCCCC#CC=CCCCCCC
CHEM   : 
MOL FOR: C18 H30 O2 
MOL WT : 278.44
------------------------------ 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) =  7.01
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  394.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  149.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.31E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.42E-005  (Modified Grain method)
    Subcooled liquid VP: 1.16E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00155 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.04157
       log Kow used: 7.01 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.065187 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.40E-006  atm-m3/mole  (3.44E-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:  5.561E-006 atm-m3/mole  (5.635E-001 Pa-m3/mole)
      VP:   6.31E-007 mm Hg (source: MPBPVP)
      WS:   0.0416 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.01  (KowWin est)
  Log Kaw used:  -3.857  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.867
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7961
   Biowin2 (Non-Linear Model)     :   0.8237
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2468  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1007  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6707
   Biowin6 (MITI Non-Linear Model):   0.7011
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7904
 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):  0.00155 Pa (1.16E-005 mm Hg)
  Log Koa (Koawin est  ): 10.867
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00194 
       Octanol/air (Koa) model:  0.0181 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0655 
       Mackay model           :  0.134 
       Octanol/air (Koa) model:  0.591 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 112.5697 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 122.4497 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.140 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.048 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.571750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.140500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.004 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.005 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.0999 (Junge-Pankow, Mackay avg)
      0.591 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.17E+004  L/kg (MCI method)
      Log Koc:  4.068       (MCI method)
      Koc    :  1.079E+004  L/kg (Kow method)
      Log Koc:  4.033       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0521 days (HL = 11.27 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.124 (BCF = 1329)
   Log BAF Arnot-Gobas method (upper trophic) = 4.716 (BAF = 5.199e+004)
       log Kow used: 7.01 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.4E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        289  hours   (12.04 days)
    Half-Life from Model Lake :       3293  hours   (137.2 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.85  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.07  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.208           2.18         1000       
   Water     22.9            360          1000       
   Soil      71.6            720          1000       
   Sediment  5.28            3.24e+003    0          
     Persistence Time: 487 hr