ChemSpider 2D Image | Selenium | Se

Selenium

  • Molecular FormulaSe
  • Average mass78.960 Da
  • Monoisotopic mass79.916519 Da
  • ChemSpider ID4885617

More details:



Featured data source



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

Selenium [Wiki]
231-957-4 [EINECS]
7782-49-2 [RN]
Selen [Polish]
selenio [Spanish]
34Se
7783-07-5 [RN]
EINECS 231-957-4
EINECS 231-978-9
Elemental selenium
More...

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

02687_FLUKA [DBID]
204307_ALDRICH [DBID]
209643_ALDRICH [DBID]
209651_ALDRICH [DBID]
229865_ALDRICH [DBID]
247928_ALDRICH [DBID]
84896_FLUKA [DBID]
C.I. 77805 [DBID]
C01528 [DBID]
Caswell No. 732 [DBID]
More...
  • Experimental Physico-chemical Properties
  • 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

Density:
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/LogP:
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
Polarizability:
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





Feedback Form