CAS Number: 442662-30-8
SMILES : CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOCC=C(C=CC=C(C=CC2=C(CCCC2(C)C)C)C)C
         )C)C
CHEM   : 
MOL FOR: C40 H58 O1 
MOL WT : 554.91
------------------------------ EPI SUMMARY (v4.11) --------------------------
    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) =  16.58
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  591.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  246.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.91E-012  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.55E-010  (Modified Grain method)
    Subcooled liquid VP: 4.9E-010 mm Hg (25 deg C, Mod-Grain method)
                       : 6.53E-008 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.188e-012
       log Kow used: 16.58 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.5491e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.61E+000  atm-m3/mole  (1.63E+005 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:  6.374E-001 atm-m3/mole  (6.458E+004 Pa-m3/mole)
      VP:   1.91E-012 mm Hg (source: MPBPVP)
      WS:   2.19E-012 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  16.58  (KowWin est)
  Log Kaw used:  1.818  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.762
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2319
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.5400  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.7305  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.5064
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.4357
 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):  6.53E-008 Pa (4.9E-010 mm Hg)
  Log Koa (Koawin est  ): 14.762
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  45.9 
       Octanol/air (Koa) model:  142 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 770.7551 E-12 cm3/molecule-sec
      Half-Life =     0.014 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.992 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    89.635002 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     18.411 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    :  6.262E+009  L/kg (MCI method)
      Log Koc:  9.797       (MCI method)
      Koc    :  1.013E+010  L/kg (Kow method)
      Log Koc:  10.005      (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 5.7791 days (HL = 6.014e+005 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
   Log BAF Arnot-Gobas method (upper trophic) = 0.003 (BAF = 1.006)
       log Kow used: 16.58 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.61 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.405  hours
    Half-Life from Model Lake :      223.8  hours   (9.323 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       0.00171         0.16         1000       
   Water     6.45            4.32e+003    1000       
   Soil      93.5            8.64e+003    1000       
   Sediment  0.00276         3.89e+004    0          
     Persistence Time: 4.46e+003 hr