CAS Number: 65140-91-2
SMILES : CCOP(O[Ca]OP(=O)(OCC)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(=O)Cc1cc(C(C)(
         C)C)c(O)c(C(C)(C)C)c1
CHEM   : Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]
         -, monoethyl ester, calcium salt (2:1)
MOL FOR: C34 H56 O8 P2 Ca1 
MOL WT : 694.85
    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) =  4.99
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  480.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.25E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.99E-008  (Modified Grain method)
    Subcooled liquid VP: 2.23E-009 mm Hg (25 deg C, Mod-Grain method)
                       : 2.98E-007 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.00789
       log Kow used: 4.99 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.13045 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       SHOULD NOT BE PROFILED 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   Incomplete
   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:  6.084E-008 atm-m3/mole  (6.164E-003 Pa-m3/mole)
      VP:   5.25E-010 mm Hg (source: MPBPVP)
      WS:   0.00789 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0874
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.9279  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.3109  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.9300
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.7978
 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):  2.97E-007 Pa (2.23E-009 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  10.1 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.997 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  not available
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  75.1634 E-12 cm3/molecule-sec
      Half-Life =     0.142 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.708 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.998 (Junge-Pankow, Mackay avg)
      not available (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.49E+008  L/kg (MCI method)
      Log Koc:  8.543       (MCI method)
      Koc    :  6204  L/kg (Kow method)
      Log Koc:  3.793       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Phosphorus esters hydrolysis rates available (see Full Output)
 
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.738 (BCF = 547.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9072 days (HL = 0.1238 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.719 (BCF = 52.4)
   Log BAF Arnot-Gobas method (upper trophic) = 1.719 (BAF = 52.4)
       log Kow used: 4.99 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.08E-008 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 2.537E+004  hours   (1057 days)
    Half-Life from Model Lake :  2.77E+005  hours   (1.154E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              77.38  percent
    Total biodegradation:        0.68  percent
    Total sludge adsorption:    76.71  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       0.0122          3.42         1000       
   Water     0.677           4.32e+003    1000       
   Soil      40.9            8.64e+003    1000       
   Sediment  58.4            3.89e+004    0          
     Persistence Time: 1.13e+004 hr