Selenium Se structure Flashcard

Se structure
Molecular FormulaSe
Average mass78.960 Da
Boiling Point
Flash Point
Molar Refractivity
Surface Tension
Molar Volume
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      217 °C LabNetwork LN00195197
      217 °C FooDB FDB013400
    • Experimental Boiling Point:

      1265 F (685 °C)
      NIOSH VS7700000
      684.9 °C LabNetwork LN00195197
    • Experimental Vapor Pressure:

      0 mmHg (Approximate) NIOSH VS7700000
    • Experimental Solubility:

      Insoluble NIOSH VS7700000
  • Miscellaneous
    • Appearance:

      Amorphous or crystalline, red to gray solid. [Note: Occurs as an impurity in most sulfide ores.] NIOSH VS7700000
    • Safety:

      WARNING: Irreversible damage risk, protect skin/eyes/lungs. Alfa Aesar A12592
    • First-Aid:

      Eye: Irrigate immediately Skin: Soap wash immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH VS7700000
    • Exposure Routes:

      inhalation, ingestion, skin and/or eye contact NIOSH VS7700000
    • Symptoms:

      Irritation eyes, skin, nose, throat; visual disturbance; headache; chills, fever; dyspnea (breathing difficulty), bronchitis; metallic taste, garlic breath, gastrointestinal disturbance; dermatitis; e
      ye, skin burns; in animals: anemia; liver necrosis, cirrhosis; kidney, spleen damage NIOSH VS7700000
    • Target Organs:

      Eyes, skin, respiratory system, liver, kidneys, blood, spleen NIOSH VS7700000
    • Incompatibility:

      Acids, strong oxidizers, chromium trioxide, potassium bromate, cadmium NIOSH VS7700000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: No recommendation Wash skin: When contaminated Remove: When wet or contaminated Change: No recommendation Provide: Quick drench NIOSH VS7700000
    • Exposure Limits:

      NIOSH REL*: TWA 0.2 mg/m 3 [*Note: The REL also applies to other selenium compounds (as Se) except Selenium hexafluoride.] OSHA PEL*: TWA 0.2 mg/m 3 [*Note: The PEL also applies to other selenium
      compounds (as Se) except Selenium hexafluoride.] NIOSH VS7700000

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#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: 0 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) = 0.24

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 483.96 (Adapted Stein & Brown method)
 Melting Pt (deg C): 194.06 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 6.67E+003 (Mean VP of Antoine & Grain methods)
 MP (exp database): -65.73 deg C
 BP (exp database): -41.3 deg C
 VP (exp database): 9.12E+03 mm Hg at 31 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 8.142e+004
 log Kow used: 0.24 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1.4374e+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 : 9.74E-003 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 9.946E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 0.24 (KowWin est)
 Log Kaw used: -0.400 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 0.640
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7090
 Biowin2 (Non-Linear Model) : 0.8652
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0202 (weeks )
 Biowin4 (Primary Survey Model) : 3.7309 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4712
 Biowin6 (MITI Non-Linear Model): 0.5469
 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): 7.4E+005 Pa (5.55E+003 mm Hg)
 Log Koa (Koawin est ): 0.640
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 4.05E-012 
 Octanol/air (Koa) model: 1.07E-012 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.46E-010 
 Mackay model : 3.24E-010 
 Octanol/air (Koa) model: 8.57E-011 

 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): 2.35E-010 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 14.3
 Log Koc: 1.155 

 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: 0.24 (estimated)

 Volatilization from Water:
 Henry LC: 0.00974 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 0.9724 hours (58.34 min)
 Half-Life from Model Lake : 86.06 hours (3.586 days)

 Removal In Wastewater Treatment:
 Total removal: 79.30 percent
 Total biodegradation: 0.03 percent
 Total sludge adsorption: 0.57 percent
 Total to Air: 78.70 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 6.24 3.95 1000 
 Water 88.9 360 1000 
 Soil 4.66 720 1000 
 Sediment 0.165 3.24e+003 0 
 Persistence Time: 70.3 hr


Click to predict properties on the Chemicalize site

Get instant access to
all materials

Become a Member