CAS Number: 26741-53-7
SMILES : O(P(OCC1(COP(O2)Oc(c(cc(c3)C(C)(C)C)C(C)(C)C)c3)C2)Oc(c(cc(c4)C(C)(C)
         C)C(C)(C)C)c4)C1
CHEM   : 2,4,8,10-Tetraoxa-3,9-diphosphaspiro 5.5 undecane, 3,9-bis 2,4-bis(1,
         1-dimethylethyl)phenoxy -
MOL FOR: C33 H50 O6 P2 
MOL WT : 604.71
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
 Physical Property Inputs:
------------------------------ EPI SUMMARY (v3.20) --------------------------
    Water Solubility (mg/L):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  10.90
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  595.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  257.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.89E-013  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.86E-011  (Modified Grain method)
    Subcooled liquid VP: 9.87E-011 mm Hg (25 deg C, Mod-Grain method)
                       : 1.32E-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):  7.414e-008
       log Kow used: 10.90 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.0471e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.24E-009  atm-m3/mole  (3.29E-004 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:  3.102E-006 atm-m3/mole  (3.143E-001 Pa-m3/mole)
      VP:   2.89E-013 mm Hg (source: MPBPVP)
      WS:   7.41E-008 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.90  (KowWin est)
  Log Kaw used:  -6.878  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.778
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4600
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.8022  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.2081  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.6156
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.8426
 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):  1.32E-008 Pa (9.87E-011 mm Hg)
  Log Koa (Koawin est  ): 17.778
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  228 
       Octanol/air (Koa) model:  1.47E+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 = 110.1136 E-12 cm3/molecule-sec
      Half-Life =     0.097 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.166 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  1E+010  L/kg (MCI method)
      Log Koc:  10.383      (MCI method)
      Koc    :  2.882E+009  L/kg (Kow method)
      Log Koc:  9.460       (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 = 2.215 (BCF = 164 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 3.4857 days (HL = 3060 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.015 (BCF = 10.36)
   Log BAF Arnot-Gobas method (upper trophic) = 4.669 (BAF = 4.664e+004)
       log Kow used: 10.90 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.24E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.444E+005  hours   (1.852E+004 days)
    Half-Life from Model Lake : 4.848E+006  hours   (2.02E+005 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       0.00922         2.33         1000       
   Water     0.839           4.32e+003    1000       
   Soil      41.8            8.64e+003    1000       
   Sediment  57.3            3.89e+004    0          
     Persistence Time: 1.07e+004 hr