ChemSpider 2D Image | Samarium | Sm

Samarium

  • Molecular FormulaSm
  • Average mass150.360 Da
  • Monoisotopic mass151.919693 Da
  • ChemSpider ID22391

More details:






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

13598-53-3 [RN]
231-128-7 [EINECS]
7440-19-9 [RN]
MFCD00011233
Samarium [ACD/Index Name] [ACD/IUPAC Name] [Wiki]
Samarium [German] [ACD/Index Name] [ACD/IUPAC Name]
Samarium [French] [ACD/Index Name] [ACD/IUPAC Name]
Samarium hydride (SmH3)
(151sm)samarium
(153sm)samarium
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

42OD65L39F [DBID]
11925_FLUKA [DBID]
261203_ALDRICH [DBID]
261211_ALDRICH [DBID]
263184_ALDRICH [DBID]
CHEBI:33374 [DBID]
UNII:42OD65L39F [DBID]
UNII-42OD65L39F [DBID]

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

    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) =  0.23
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  482.98  (Adapted Stein & Brown method)
        Melting Pt (deg C):  188.60  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  4.24E-009  (Modified Grain method)
        Subcooled liquid VP: 2.19E-007 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):  4.819e+004
           log Kow used: 0.23 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  2.669e+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 :   2.45E-002  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  1.741E-014 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  0.23  (KowWin est)
      Log Kaw used:  0.001  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  0.229
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.6760
       Biowin2 (Non-Linear Model)     :   0.7055
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.8669  (weeks       )
       Biowin4 (Primary Survey Model) :   3.6308  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.2648
       Biowin6 (MITI Non-Linear Model):   0.1400
     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):  2.92E-005 Pa (2.19E-007 mm Hg)
      Log Koa (Koawin est  ): 0.229
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  0.103 
           Octanol/air (Koa) model:  4.16E-013 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.788 
           Mackay model           :  0.892 
           Octanol/air (Koa) model:  3.33E-011 
    
     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): 0.84 (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: 0.23 (estimated)
    
     Volatilization from Water:
        Henry LC:  0.0245 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River:      1.281  hours
        Half-Life from Model Lake :      116.8  hours   (4.866 days)
    
     Removal In Wastewater Treatment:
        Total removal:              90.51  percent
        Total biodegradation:        0.02  percent
        Total sludge adsorption:     0.40  percent
        Total to Air:               90.09  percent
          (using 10000 hr Bio P,A,S)
    
     Level III Fugacity Model:
               Mass Amount    Half-Life    Emissions
                (percent)        (hr)       (kg/hr)
       Air       40.2            1e+005       1000       
       Water     54.1            360          1000       
       Soil      5.63            720          1000       
       Sediment  0.101           3.24e+003    0          
         Persistence Time: 177 hr
    
    
    
    
                        

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