ChemSpider 2D Image | Dioxotechnetium | O2Tc

Dioxotechnetium

  • Molecular FormulaO2Tc
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5256775

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Dioxotechnetium [ACD/IUPAC Name]
Dioxotechnetium [German] [ACD/IUPAC Name]
Dioxotechnétium [French] [ACD/IUPAC Name]
technetium dioxide
Technetium, dioxo- [ACD/Index Name]
12036-16-7 [RN]
TcO2
technetium dioxide; technetium(IV) oxide
technetium(IV) oxide

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:26864 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  564.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  242.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.45E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -72 deg C
    BP  (exp database):  -10 deg C
    VP  (exp database):  3.00E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.866e+004
       log Kow used: 0.23 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.07e+005 mg/L (21 deg C)
        Exper. Ref:  VENABLE,CS & FUWA,T (1922)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.3059e+005 mg/L
    Wat Sol (Exper. database match) =  107000.00
       Exper. Ref:  VENABLE,CS & FUWA,T (1922)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.215E-003 atm-m3/mole

 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)         :   0.6857
   Biowin2 (Non-Linear Model)     :   0.7621
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9121  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6603  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3257
   Biowin6 (MITI Non-Linear Model):   0.2271
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  4E+005 Pa (3E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.5E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.71E-010 
       Mackay model           :  6E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.35E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  23.74
      Log Koc:  1.376 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.23 (estimated)

 Volatilization from Water:
    Henry LC:  0.00221 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.464  hours
    Half-Life from Model Lake :      111.5  hours   (4.648 days)

 Removal In Wastewater Treatment:
    Total removal:              73.86  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     0.65  percent
    Total to Air:               73.17  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       54.6            1e+005       1000       
   Water     42.5            360          1000       
   Soil      2.84            720          1000       
   Sediment  0.079           3.24e+003    0          
     Persistence Time: 149 hr




                    

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