CAS Number: 52898-98-3
SMILES : CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=CC(CC=C2C)C(=C)C
CHEM   : 
MOL FOR: C33 H52 O2 
MOL WT : 480.78
------------------------------ 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) =  13.41
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  521.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  211.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.39E-011  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.12E-008  (Modified Grain method)
    Subcooled liquid VP: 8.01E-009 mm Hg (25 deg C, Mod-Grain method)
                       : 1.07E-006 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.367e-009
       log Kow used: 13.41 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.8078e-007 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 :   7.54E-002  atm-m3/mole  (7.64E+003 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:  1.576E-002 atm-m3/mole  (1.597E+003 Pa-m3/mole)
      VP:   8.39E-011 mm Hg (source: MPBPVP)
      WS:   3.37E-009 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  13.41  (KowWin est)
  Log Kaw used:  0.489  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.921
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8013
   Biowin2 (Non-Linear Model)     :   0.8914
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5753  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6521  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5362
   Biowin6 (MITI Non-Linear Model):   0.2193
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3716
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.07E-006 Pa (8.01E-009 mm Hg)
  Log Koa (Koawin est  ): 12.921
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.81 
       Octanol/air (Koa) model:  2.05 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.99 
       Mackay model           :  0.996 
       Octanol/air (Koa) model:  0.994 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 397.5014 E-12 cm3/molecule-sec
      Half-Life =     0.027 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.374 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    69.644997 E-17 cm3/molecule-sec
      Half-Life =     0.016 Days (at 7E11 mol/cm3)
      Half-Life =     23.695 Min
   Fraction sorbed to airborne particulates (phi):
      0.993 (Junge-Pankow, Mackay avg)
      0.994 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.505E+008  L/kg (MCI method)
      Log Koc:  8.177       (MCI method)
      Koc    :  1.892E+008  L/kg (Kow method)
      Log Koc:  8.277       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  8.171E-002  L/mol-sec
  Kb Half-Life at pH 8:      98.171  days   
  Kb Half-Life at pH 7:       2.688  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.984 (BCF = 9.638 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 3.1206 days (HL = 1320 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.037 (BCF = 0.9181)
   Log BAF Arnot-Gobas method (upper trophic) = 2.078 (BAF = 119.8)
       log Kow used: 13.41 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0754 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.254  hours
    Half-Life from Model Lake :      208.5  hours   (8.685 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.0109          0.245        1000       
   Water     17.7            900          1000       
   Soil      82.1            1.8e+003     1000       
   Sediment  0.124           8.1e+003     0          
     Persistence Time: 1.06e+003 hr