CAS Number: 3351-86-8
SMILES : CC1(C)CC(O)CC(C)(O2)C12CC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C=C3C
         (O)(C)CC(OC(=O)C)CC3(C)C
CHEM   : Fucoxanthin
MOL FOR: C42 H58 O6 
MOL WT : 658.93
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  11.40
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  708.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  309.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.04E-019  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.05E-017  (Modified Grain method)
    MP  (exp database):  168 deg C
    Subcooled liquid VP: 9.08E-018 mm Hg (25 deg C, Mod-Grain method)
                       : 1.21E-015 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.211e-008
       log Kow used: 11.40 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.9527e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Epoxides, mono
       Esters
       Vinyl/Allyl Ketones
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.06E-013  atm-m3/mole  (1.07E-008 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:  2.176E-011 atm-m3/mole  (2.205E-006 Pa-m3/mole)
      VP:   3.04E-019 mm Hg (source: MPBPVP)
      WS:   1.21E-008 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.40  (KowWin est)
  Log Kaw used:  -11.363  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  22.763
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4934
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.9515  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.4563  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0602
   Biowin6 (MITI Non-Linear Model):   0.0002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -3.2388
 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):  1.21E-015 Pa (9.08E-018 mm Hg)
  Log Koa (Koawin est  ): 22.763
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.48E+009 
       Octanol/air (Koa) model:  1.42E+010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 782.0610 E-12 cm3/molecule-sec
      Half-Life =     0.014 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.847 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    21.234999 E-17 cm3/molecule-sec
      Half-Life =     0.054 Days (at 7E11 mol/cm3)
      Half-Life =      1.295 Hrs
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9.749E+005  L/kg (MCI method)
      Log Koc:  5.989       (MCI method)
      Koc    :  2.801E+006  L/kg (Kow method)
      Log Koc:  6.447       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.340E-002  L/mol-sec
  Kb Half-Life at pH 8:     342.833  days   
  Kb Half-Life at pH 7:       9.386  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
  Total Ka (acid-catalyzed) at 25 deg C :  1.116E+000  L/mol-sec
  Ka Half-Life at pH 7:      71.892  days   
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.969 (BCF = 93.01 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.6246 days (HL = 421.3 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.411 (BCF = 2.578)
   Log BAF Arnot-Gobas method (upper trophic) = 3.840 (BAF = 6913)
       log Kow used: 11.40 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.06E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.418E+010  hours   (5.908E+008 days)
    Half-Life from Model Lake : 1.547E+011  hours   (6.445E+009 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       0.00277         0.262        1000       
   Water     6.42            4.32e+003    1000       
   Soil      93.5            8.64e+003    1000       
   Sediment  0.0646          3.89e+004    0          
     Persistence Time: 4.48e+003 hr