ChemSpider 2D Image | Selenium dioxide | O2Se

Selenium dioxide

  • Molecular FormulaO2Se
  • Average mass110.959 Da
  • Monoisotopic mass111.906349 Da
  • ChemSpider ID22440

More details:

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

Selenium dioxide [Wiki]
231-194-7 [EINECS]
7446-08-4 [RN]
Oxoselane oxide [ACD/IUPAC Name]
Oxoselanoxid [German] [ACD/IUPAC Name]
Oxyde de oxosélane [French] [ACD/IUPAC Name]
Selane, oxo-, oxide [ACD/Index Name]

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

NSC 56753 [DBID]
04.08.7446 [DBID]
NSC56753 [DBID]
RCRA waste no. U204 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      340-350 °C (Sublimes) Alfa Aesar
      340-350 °C (Sublimes) Alfa Aesar 10854, 12358
      315 °C (Sublimes) Sigma-Aldrich ALDRICH-200107
      316 °C (Sublimes) Kaye & Laby (No longer updated)
      315 °C (Sublimes) Oakwood 097778
    • Experimental Boiling Point:

      340-350 °C (Sublimes) Strem 93-3405, 93-3406
    • Experimental Solubility:

      39.4% w/w in 16?C water Kaye & Laby (No longer updated)
      82.5% w/w in 65?C water Kaye & Laby (No longer updated)
      Partially soluble in water, methanol, ethanol, acetone. Soluble in concentrated H2SO4 Alfa Aesar 12358
      soluble in acetic acid Kaye & Laby (No longer updated)
      soluble in acetone Kaye & Laby (No longer updated)
      soluble in benzene Kaye & Laby (No longer updated)
      soluble in ethanol Kaye & Laby (No longer updated)
    • Experimental Density:

      3.95 g/mL Alfa Aesar 12358
      3.95 g/mL / 15 °C Kaye & Laby (No longer updated)
  • Miscellaneous
    • Toxicity:

      Inorganic Compound; Non-Metal; Selenium Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D1819
    • Safety:

      20/21-28-45-60-61 Alfa Aesar 10854, 12358
      23/25-33-50/53 Alfa Aesar 10854, 12358
      DANGER: POISON, harmful if swallowed or inhaled. Alfa Aesar 10854, 12358
      WARNING: Causes garlic odor on breath; eye & lung irritation Alfa Aesar 10854, 12358

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 34 Å2
Surface Tension:
Molar Volume:

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

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.77

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  473.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  184.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.26E-011  (Modified Grain method)
    MP  (exp database):  340 deg C
    VP  (exp database):  2.04E+00 mm Hg at 25 deg C
    Subcooled liquid VP: 2.66E+003 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.918e+005
       log Kow used: -0.77 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9696e+005 mg/L

 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]:  9.678E-018 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)         :   0.6947
   Biowin2 (Non-Linear Model)     :   0.8074
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9540  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6877  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3820
   Biowin6 (MITI Non-Linear Model):   0.3368
 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):  3.55E+005 Pa (2.66E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.46E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.06E-010 
       Mackay model           :  6.77E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  65.0000 E-12 cm3/molecule-sec
      Half-Life =     0.165 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.975 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.91E-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: -0.77 (estimated)

 Volatilization from Water:
    Henry LC:  9.68E-018 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 6.373E+013  hours   (2.655E+012 days)
    Half-Life from Model Lake : 6.952E+014  hours   (2.897E+013 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       1.67e-007       3.95         1000       
   Water     38.9            360          1000       
   Soil      61              720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr


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