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Search term: LZDSILRDTDCIQT (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Dinitrogen trioxide | N2O3

Dinitrogen trioxide

  • Molecular FormulaN2O3
  • Average mass76.012 Da
  • Monoisotopic mass75.990891 Da
  • ChemSpider ID55446

More details:






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

Dinitrogen trioxide [Wiki]
10544-73-7 [RN]
234-128-5 [EINECS]
nitrogen trioxide
trioxido-1κ(2)O,2κO-dinitrate(N--N)(2-)
trioxido-1κ(2)O,2κO-dinitrogen(N--N)
Trioxodinitrate
三氧化二氮 [Chinese]

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

16E0524PXI [DBID]
UNII-16E0524PXI [DBID]
CHEBI:29799 [DBID]
CHEBI:29801 [DBID]
UN2421 [DBID]
UNII:16E0524PXI [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -102 °C Kaye & Laby (No longer updated)
    • Experimental Boiling Point:

      3.5 °C / 760 mmHg (Decomposes) Kaye & Laby (No longer updated)
    • Experimental Solubility:

      decomposes in 100?C water Kaye & Laby (No longer updated)
      soluble in 20?C water Kaye & Laby (No longer updated)
      soluble in acid Kaye & Laby (No longer updated)
      soluble in alkali Kaye & Laby (No longer updated)
      soluble in ether Kaye & Laby (No longer updated)
    • Experimental Density:

      1.447 g/mL / 2 °C Kaye & Laby (No longer updated)

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 12.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.23
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: 75 Å2
Polarizability: 4.8±0.5 10-24cm3
Surface Tension: 105.4±7.0 dyne/cm
Molar Volume: 39.1±7.0 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) =  -2.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  727.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  318.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.99E-021  (Modified Grain method)
    Subcooled liquid VP: 1.22E-017 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: -2.28 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0497e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.32E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.070E-028 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.28  (KowWin est)
  Log Kaw used:  -13.268  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.988
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7109
   Biowin2 (Non-Linear Model)     :   0.8716
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0290  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7366  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4737
   Biowin6 (MITI Non-Linear Model):   0.6358
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3984
 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):  1.63E-015 Pa (1.22E-017 mm Hg)
  Log Koa (Koawin est  ): 10.988
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.84E+009 
       Octanol/air (Koa) model:  0.0239 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.656 

 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    :  67.7
      Log Koc:  1.831 

 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: -2.28 (estimated)

 Volatilization from Water:
    Henry LC:  1.32E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.893E+011  hours   (1.622E+010 days)
    Half-Life from Model Lake : 4.246E+012  hours   (1.769E+011 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       1.57            1e+005       1000       
   Water     39.8            360          1000       
   Soil      58.6            720          1000       
   Sediment  0.0727          3.24e+003    0          
     Persistence Time: 531 hr




                    

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