ChemSpider 2D Image | molecular nitrogen | N2

molecular nitrogen

  • Molecular FormulaN2
  • Average mass28.013 Da
  • Monoisotopic mass28.006147 Da
  • ChemSpider ID922

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molecular nitrogen
1173020-41-1 [RN]
13966-04-6 [RN]
154680-01-0 [RN]
231-783-9 [EINECS]
7727-37-9 [RN]
Azote [French] [ACD/IUPAC Name]
Diatomic nitrogen
dinitrogen [Wiki]
MFCD00011416 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

295574_ALDRICH [DBID]
C00697 [DBID]
CHEBI:17997 [DBID]
D00083 [DBID]
HSDB 5060 [DBID]
UN 1066 [DBID]
UN 1977 [DBID]
UN1066 [DBID]
UN1977 [DBID]
UNII:N762921K75 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: -195.8±9.0 °C at 760 mmHg
Vapour Pressure: 431351.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 5.6±0.0 kJ/mol
Flash Point:
Index of Refraction: 1.189
Molar Refractivity: 3.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.03
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: 48 Å2
Polarizability: 1.5±0.5 10-24cm3
Surface Tension: 23.7±3.0 dyne/cm
Molar Volume: 32.0±3.0 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) =  0.67
    Log Kow (Exper. database match) =  0.67
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  765.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  336.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.66E+010  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -210.01 deg C
    BP  (exp database):  -195.79 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.933e+004
       log Kow used: 0.67 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.81e+004 mg/L (21 deg C)
        Exper. Ref:  VENABLE,CS & FUWA,T (1922)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  49726 mg/L
    Wat Sol (Exper. database match) =  18100.00
       Exper. Ref:  VENABLE,CS & FUWA,T (1922)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.94E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.550E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.67  (exp database)
  Log Kaw used:  -0.101  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.771
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7342
   Biowin2 (Non-Linear Model)     :   0.9316
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1373  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8073  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6195
   Biowin6 (MITI Non-Linear Model):   0.8778
 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):  4.43E+012 Pa (3.32E+010 mm Hg)
  Log Koa (Koawin est  ): 0.771
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.78E-019 
       Octanol/air (Koa) model:  1.45E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.45E-017 
       Mackay model           :  5.42E-017 
       Octanol/air (Koa) model:  1.16E-010 

 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): 3.93E-017 (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: 0.67 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0194 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      0.556  hours   (33.36 min)
    Half-Life from Model Lake :      50.44  hours   (2.102 days)

 Removal In Wastewater Treatment:
    Total removal:              88.33  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.44  percent
    Total to Air:               87.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       55.9            1e+005       1000       
   Water     42.6            360          1000       
   Soil      1.45            720          1000       
   Sediment  0.0813          3.24e+003    0          
     Persistence Time: 146 hr

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