CAS Number: 112899-62-4
SMILES : CCCC=C1C2=C(C3C(CC2)C45C3(CCC=C4)C(=CCCC)OC5(=O))C(=O)O1
CHEM   : 
MOL FOR: C24 H28 O4 
MOL WT : 380.49
------------------------------ 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) =  4.19
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  526.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  225.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.05E-011  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.4E-009  (Modified Grain method)
    Subcooled liquid VP: 5.66E-009 mm Hg (25 deg C, Mod-Grain method)
                       : 7.55E-007 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.058
       log Kow used: 4.19 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0054769 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.45E-005  atm-m3/mole  (3.50E+000 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:  1.916E-011 atm-m3/mole  (1.942E-006 Pa-m3/mole)
      VP:   4.05E-011 mm Hg (source: MPBPVP)
      WS:   1.06 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.19  (KowWin est)
  Log Kaw used:  -2.851  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.041
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7638
   Biowin2 (Non-Linear Model)     :   0.9975
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8112  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9880  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7299
   Biowin6 (MITI Non-Linear Model):   0.4476
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8746
 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):  7.55E-007 Pa (5.66E-009 mm Hg)
  Log Koa (Koawin est  ): 7.041
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.98 
       Octanol/air (Koa) model:  2.7E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.993 
       Mackay model           :  0.997 
       Octanol/air (Koa) model:  0.000216 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 253.0916 E-12 cm3/molecule-sec
      Half-Life =     0.042 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.507 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   224.721237 E-17 cm3/molecule-sec
      Half-Life =     0.005 Days (at 7E11 mol/cm3)
      Half-Life =      7.343 Min
   Fraction sorbed to airborne particulates (phi):
      0.995 (Junge-Pankow, Mackay avg)
      0.000216 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.266E+005  L/kg (MCI method)
      Log Koc:  5.103       (MCI method)
      Koc    :  1293  L/kg (Kow method)
      Log Koc:  3.112       (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 = 2.434 (BCF = 271.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3703 days (HL = 0.4263 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.212 (BCF = 163.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.213 (BAF = 163.1)
       log Kow used: 4.19 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.45E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      35.09  hours   (1.462 days)
    Half-Life from Model Lake :      546.4  hours   (22.77 days)
 
 Removal In Wastewater Treatment:
    Total removal:              40.26  percent
    Total biodegradation:        0.39  percent
    Total sludge adsorption:    38.77  percent
    Total to Air:                1.10  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00795         0.109        1000       
   Water     12.1            360          1000       
   Soil      49.6            720          1000       
   Sediment  38.2            3.24e+003    0          
     Persistence Time: 701 hr