ChemSpider 2D Image | Nitridoscandium | NSc

Nitridoscandium

  • Molecular FormulaNSc
  • Average mass58.963 Da
  • Monoisotopic mass58.958984 Da
  • ChemSpider ID105117

More details:






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

25764-12-9 [RN]
Nitridoscandium [ACD/IUPAC Name]
Nitridoscandium [German] [ACD/IUPAC Name]
Nitridoscandium [French] [ACD/IUPAC Name]
Scandium nitride (ScN)
Scandium, nitrido- [ACD/Index Name]
247-247-2 [EINECS]
664347-12-0 [RN]
MFCD00054038
scandium nitride

    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: 1
    #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: 24 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):  645.87  (Adapted Stein & Brown method)
        Melting Pt (deg C):  280.74  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  6.85E-015  (Modified Grain method)
        Subcooled liquid VP: 4.6E-012 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):  8.745e+004
           log Kow used: 0.23 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  1.0466e+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]:  6.077E-021 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)         :   0.7195
       Biowin2 (Non-Linear Model)     :   0.8977
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   3.0689  (weeks       )
       Biowin4 (Primary Survey Model) :   3.7627  (days        )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.5275
       Biowin6 (MITI Non-Linear Model):   0.7462
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.3984
     Ready Biodegradability Prediction:   YES
    
    Hydrocarbon Biodegradation (BioHCwin v1.01):
        Structure incompatible with current estimation method!
    
     Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
      Vapor pressure (liquid/subcooled):  6.13E-010 Pa (4.6E-012 mm Hg)
      Log Koa (): not available
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  4.89E+003 
           Octanol/air (Koa) model:  not available
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  1 
           Mackay model           :  1 
           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): 1 (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:  6.08E-021 atm-m3/mole  (calculated from VP/WS)
        Half-Life from Model River: 7.398E+016  hours   (3.083E+015 days)
        Half-Life from Model Lake : 8.071E+017  hours   (3.363E+016 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       5.51e-008       1e+005       1000       
       Water     38.1            360          1000       
       Soil      61.8            720          1000       
       Sediment  0.0708          3.24e+003    0          
         Persistence Time: 585 hr
    
    
    
    
                        

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