ChemSpider 2D Image | azomethane | C2H6N2

azomethane

  • Molecular FormulaC2H6N2
  • Average mass58.082 Da
  • Monoisotopic mass58.053097 Da
  • ChemSpider ID9992
  • Double-bond stereo - Double-bond stereo


More details:






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

(E)-Dimethyldiazen [German] [ACD/IUPAC Name]
(E)-Dimethyldiazene [ACD/IUPAC Name]
(E)-Diméthyldiazène [French] [ACD/IUPAC Name]
503-28-6 [RN]
azomethane
Diazene, 1,2-dimethyl-, (E)- [ACD/Index Name]
DIAZENE, DIMETHYL-
(CH3N)2 [Formula]
(E)-CH3N=NCH3 [Formula]
1,2-Dimethyldiazene
More...

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

  • Gas Chromatography
    • Retention Index (Kovats):

      390 (estimated with error: 83) NIST Spectra mainlib_18966, replib_136
      386.8 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Start T: 50 C; CAS no: 4143413; Active phase: Methyl Silicone; Carrier gas: N2; Phase thickness: 1 um; Data type: Kovats RI; Authors: Gorgenyi, M.; Fekete, Z.; Seres, L., Estimation and prediction of the retention indices of selected trans-diazenes, Chromatographia, 27(11/12), 1989, 581-584.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 1.5±9.0 °C at 760 mmHg
Vapour Pressure: 1721.2±0.0 mmHg at 25°C
Enthalpy of Vaporization: 24.0±3.0 kJ/mol
Flash Point: -55.0±19.6 °C
Index of Refraction: 1.405
Molar Refractivity: 17.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.37
ACD/KOC (pH 5.5): 145.41
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.37
ACD/KOC (pH 7.4): 145.41
Polar Surface Area: 25 Å2
Polarizability: 6.9±0.5 10-24cm3
Surface Tension: 22.9±7.0 dyne/cm
Molar Volume: 71.4±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) =  1.68

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  13.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -133.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.76E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -78 deg C
    BP  (exp database):  1.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1873
       log Kow used: 1.68 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12753 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.33E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.101E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.68  (KowWin est)
  Log Kaw used:  -2.021  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.701
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4781
   Biowin2 (Non-Linear Model)     :   0.0024
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7705  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7111  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4943
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6769
 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):  2.32E+005 Pa (1.74E+003 mm Hg)
  Log Koa (Koawin est  ): 3.701
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.29E-011 
       Octanol/air (Koa) model:  1.23E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.67E-010 
       Mackay model           :  1.03E-009 
       Octanol/air (Koa) model:  9.86E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2720 E-12 cm3/molecule-sec
      Half-Life =    39.323 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.51E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.109
      Log Koc:  0.614 

 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 = 0.592 (BCF = 3.907)
       log Kow used: 1.68 (estimated)

 Volatilization from Water:
    Henry LC:  0.000233 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.693  hours
    Half-Life from Model Lake :      93.28  hours   (3.887 days)

 Removal In Wastewater Treatment:
    Total removal:              11.84  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.78  percent
    Total to Air:                9.97  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       20              944          1000       
   Water     33.6            360          1000       
   Soil      46.4            720          1000       
   Sediment  0.0891          3.24e+003    0          
     Persistence Time: 280 hr




                    

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