ChemSpider 2D Image | azoethane | C4H10N2

azoethane

  • Molecular FormulaC4H10N2
  • Average mass86.136 Da
  • Monoisotopic mass86.084396 Da
  • ChemSpider ID12628
  • Double-bond stereo - Double-bond stereo


More details:






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

(E)-Diethyldiazen [German] [ACD/IUPAC Name]
(E)-Diethyldiazene [ACD/IUPAC Name]
(E)-Diéthyldiazène [French] [ACD/IUPAC Name]
(Z)-1,2-diethyldiazene
1,2-Diethyldiazene
821-14-7 [RN]
azoethane
Diazene, 1,2-diethyl-, (E)- [ACD/Index Name]
UV600335V1
"ETHANE, AZO-"|(E)-DIETHYLDIAZENE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 1736139 [DBID]
  • Gas Chromatography
    • Retention Index (Kovats):

      571.9 (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: 15463997; 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
    • Retention Index (Normal Alkane):

      564 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 15463997; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Precalculation of Gas Chromatographic Retention Indices of Organic Compounds from Boiling Points of their Structural Analogues, Zh. Struct. Khim., 40(1), 1999, 121-130, In original 123-130.) 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: 68.7±9.0 °C at 760 mmHg
Vapour Pressure: 149.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.8±3.0 kJ/mol
Flash Point: -13.9±19.6 °C
Index of Refraction: 1.427
Molar Refractivity: 26.7±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.84
ACD/KOC (pH 5.5): 273.79
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.84
ACD/KOC (pH 7.4): 273.79
Polar Surface Area: 25 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 25.3±7.0 dyne/cm
Molar Volume: 104.0±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) =  2.66

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  65.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -106.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  158  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  251.5
       log Kow used: 2.66 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1594.8 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.10E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.120E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.66  (KowWin est)
  Log Kaw used:  -1.776  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.436
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4647
   Biowin2 (Non-Linear Model)     :   0.0016
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7085  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6707  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5097
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7289
 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):  2.07E+004 Pa (155 mm Hg)
  Log Koa (Koawin est  ): 4.436
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.45E-010 
       Octanol/air (Koa) model:  6.7E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.24E-009 
       Mackay model           :  1.16E-008 
       Octanol/air (Koa) model:  5.36E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.2026 E-12 cm3/molecule-sec
      Half-Life =     4.856 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    58.274 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.43E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  13.98
      Log Koc:  1.145 

 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 = 1.348 (BCF = 22.29)
       log Kow used: 2.66 (estimated)

 Volatilization from Water:
    Henry LC:  0.00041 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.272  hours
    Half-Life from Model Lake :      102.6  hours   (4.276 days)

 Removal In Wastewater Treatment:
    Total removal:              18.54  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     3.18  percent
    Total to Air:               15.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.1             117          1000       
   Water     19.1            900          1000       
   Soil      73.6            1.8e+003     1000       
   Sediment  0.212           8.1e+003     0          
     Persistence Time: 571 hr




                    

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