Trimethyl({(2R,3R)-3-[(E)-2-phenylvinyl]-2-oxiranyl}ethynyl)silane

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.

                    
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.44

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  313.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  92.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000218  (Modified Grain method)
    Subcooled liquid VP: 0.00097 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.246
       log Kow used: 4.44 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.097308 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Epoxides
       Vinyl/Allyl Ethers
       Propargyl Ethers
       Propargyl Alc-hindered

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.57E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.638E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.44  (KowWin est)
  Log Kaw used:  -3.979  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.419
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4129
   Biowin2 (Non-Linear Model)     :   0.1127
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6768  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4932  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0721
   Biowin6 (MITI Non-Linear Model):   0.0160
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0130
 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):  0.129 Pa (0.00097 mm Hg)
  Log Koa (Koawin est  ): 8.419
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.32E-005 
       Octanol/air (Koa) model:  6.44E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000837 
       Mackay model           :  0.00185 
       Octanol/air (Koa) model:  0.00513 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  86.2642 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  93.8642 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.488 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.367 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.828000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.653000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.028 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.014 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 0.00134 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4331
      Log Koc:  3.637 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Ka (acid-catalyzed) at 25 deg C :  1.253E+002  L/mol-sec [cis-isomer]
  Total Ka (acid-catalyzed) at 25 deg C :  2.936E+001  L/mol-sec [trans-isomer]
  Ka Half-Life at pH 7:      15.371  hours    [cis-isomer]
  Ka Half-Life at pH 7:       2.732  days     [trans-isomer]
 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.715 (BCF = 519.2)
       log Kow used: 4.44 (estimated)

 Volatilization from Water:
    Henry LC:  2.57E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      356.3  hours   (14.84 days)
    Half-Life from Model Lake :       4017  hours   (167.4 days)

 Removal In Wastewater Treatment:
    Total removal:              52.88  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    52.32  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0698          1.71         1000       
   Water     15.4            900          1000       
   Soil      74.4            1.8e+003     1000       
   Sediment  10.1            8.1e+003     0          
     Persistence Time: 1.16e+003 hr