CAS Num: 000514-78-3
SMILES : O=C(C(C)=C(C1)C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC(=C(C(=O)C2)C)C(C2)(C)C
         )C)C)C)C)CC1(C)C
CHEM   : Canthaxanthin
MOL FOR: C40 H52 O2 
MOL WT : 564.86
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  14.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  648.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  282.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.64E-014  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.52E-012  (Modified Grain method)
    Subcooled liquid VP: 1.84E-011 mm Hg (25 deg C, Mod-Grain method)
                       : 2.45E-009 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.476e-010
       log Kow used: 14.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.6486e-007 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.41E-006  atm-m3/mole  (4.47E-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:  7.925E-005 atm-m3/mole  (8.030E+000 Pa-m3/mole)
      VP:   2.64E-014 mm Hg (source: MPBPVP)
      WS:   2.48E-010 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  14.10  (KowWin est)
  Log Kaw used:  -3.744  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.844
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1244
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.4817  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.6815  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4279
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.9213
 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):  2.45E-009 Pa (1.84E-011 mm Hg)
  Log Koa (Koawin est  ): 17.844
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.22E+003 
       Octanol/air (Koa) model:  1.71E+005 
   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 = 703.7126 E-12 cm3/molecule-sec
      Half-Life =     0.015 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.944 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    51.154999 E-17 cm3/molecule-sec
      Half-Life =     0.022 Days (at 7E11 mol/cm3)
      Half-Life =     32.260 Min
   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    :  3.662E+008  L/kg (MCI method)
      Log Koc:  8.564       (MCI method)
      Koc    :  1.304E+009  L/kg (Kow method)
      Log Koc:  9.115       (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 v3.00):
   Log BCF from regression-based method = 0.645 (BCF = 4.412 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 4.6112 days (HL = 4.085e+004 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8997)
   Log BAF Arnot-Gobas method (upper trophic) = 1.541 (BAF = 34.76)
       log Kow used: 14.10 (estimated)

 Volatilization from Water:
    Henry LC:  4.41E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        318  hours   (13.25 days)
    Half-Life from Model Lake :       3668  hours   (152.8 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       0.00231         0.217        1000       
   Water     6.43            4.32e+003    1000       
   Soil      93.5            8.64e+003    1000       
   Sediment  0.0485          3.89e+004    0          
     Persistence Time: 4.48e+003 hr