Silicon nitride N4Si3 structure

Silicon nitride N4Si3 structure

N4Si3 structure
Molecular FormulaN4Si3
Average mass140.283 Da
Density2.8±0.1 g/cm3
Boiling Point
Flash Point
Molar Refractivity31.6±0.4 cm3
Polarizability12.5±0.5 10-24cm3
Surface Tension60.4±5.0 dyne/cm
Molar Volume49.6±5.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      1900 °C LabNetwork LN00196574
    • Experimental Gravity:

      3.44 g/mL Fluorochem
      3.44 g/l Fluorochem S14700
  • Miscellaneous
    • Safety:

      WARNING: Dust may irritate eyes and lungs Alfa Aesar 44736

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

Density: 2.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.501
Molar Refractivity: 31.6±0.4 cm3
#H bond acceptors: 4
#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: 13 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 49.6±5.0 cm3

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

Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = -6.20
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 479.60 (Adapted Stein & Brown method)
Melting Pt (deg C): 203.07 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.18E-009 (Modified Grain method)
Subcooled liquid VP: 8.97E-008 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): 1e+006
log Kow used: -6.20 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Silamines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 7.73E-018 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 2.194E-016 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -6.20 (KowWin est)
Log Kaw used: -15.500 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.300
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6803
Biowin2 (Non-Linear Model) : 0.7315
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8869 (weeks )
Biowin4 (Primary Survey Model) : 3.6439 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2918
Biowin6 (MITI Non-Linear Model): 0.1746
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): 1.2E-005 Pa (8.97E-008 mm Hg)
Log Koa (Koawin est ): 9.300
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.251 
Octanol/air (Koa) model: 0.00049 
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.901 
Mackay model : 0.953 
Octanol/air (Koa) model: 0.0377 
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): 0.927 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 292.1
Log Koc: 2.465 
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: -6.20 (estimated)
Volatilization from Water:
Henry LC: 7.73E-018 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.003E+013 hours (3.751E+012 days)
Half-Life from Model Lake : 9.822E+014 hours (4.092E+013 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 2.59e-009 1e+005 1000 
Water 39 360 1000 
Soil 60.9 720 1000 
Sediment 0.0713 3.24e+003 0 
Persistence Time: 579 hr

Click to predict properties on the Chemicalize site

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