azomethane C2H6N2 structure

C2H6N2 structure
Molecular Formula C2H6N2
Average mass 58.082 Da
Density 0.8±0.1 g/cm3
Boiling Point 1.5±9.0 °C at 760 mmHg
Flash Point -55.0±19.6 °C
Molar Refractivity 17.5±0.5 cm3
Polarizability 6.9±0.5 10-24cm3
Surface Tension 22.9±7.0 dyne/cm
Molar Volume 71.4±7.0 cm3
  • Experimental Physico-chemical Properties
  • 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

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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