ChemSpider 2D Image | Tetramethylazodicarboxamide | C6H12N4O2

Tetramethylazodicarboxamide

  • Molecular FormulaC6H12N4O2
  • Average mass172.185 Da
  • Monoisotopic mass172.096024 Da
  • ChemSpider ID4510221
  • Double-bond stereo - Double-bond stereo


More details:






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

(E)-N,N,N',N'-Tetramethyl-1,2-diazendicarboxamid [German] [ACD/IUPAC Name]
(E)-N,N,N',N'-Tetramethyl-1,2-diazenedicarboxamide [ACD/IUPAC Name]
(E)-N,N,N',N'-Tétraméthyl-1,2-diazènedicarboxamide [French] [ACD/IUPAC Name]
(E)-N,N,N',N'-Tetramethyldiazene-1,2-dicarboxamide
1,1'-Azobis(N,N-dimethylformamide)
1,2-Diazenedicarboxamide, N1,N1,N2,N2-tetramethyl-, (E)- [ACD/Index Name]
10465-78-8 [RN]
86EQC90W32
N,N,N',N'-Tetramethylazodicarboxamide
Tetramethylazodicarboxamide [Wiki]
More...

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

87751_FLUKA [DBID]
A 19315 [DBID]
AI3-61433 [DBID]
AI3-61614 [DBID]
AIDS030583 [DBID]
AIDS-030583 [DBID]
BRN 1910409 [DBID]
CCRIS 4693 [DBID]
D3648_SIGMA [DBID]
EU-0100397 [DBID]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 220.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.7±3.0 kJ/mol
Flash Point: 87.1±22.6 °C
Index of Refraction: 1.509
Molar Refractivity: 45.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.81
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.81
Polar Surface Area: 65 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 151.2±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) =  -2.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  256.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  61.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00849  (Modified Grain method)
    Subcooled liquid VP: 0.0187 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):  4.337e+005
       log Kow used: -2.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.92E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.435E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.54  (KowWin est)
  Log Kaw used:  -12.490  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.950
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6656
   Biowin2 (Non-Linear Model)     :   0.6373
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8187  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5993  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2015
   Biowin6 (MITI Non-Linear Model):   0.0857
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5178
 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):  2.49 Pa (0.0187 mm Hg)
  Log Koa (Koawin est  ): 9.950
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.2E-006 
       Octanol/air (Koa) model:  0.00219 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.35E-005 
       Mackay model           :  9.62E-005 
       Octanol/air (Koa) model:  0.149 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.2304 E-12 cm3/molecule-sec
      Half-Life =     2.528 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    30.340 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.99E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  98.95
      Log Koc:  1.995 

 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: -2.54 (estimated)

 Volatilization from Water:
    Henry LC:  7.92E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:   9.7E+010  hours   (4.042E+009 days)
    Half-Life from Model Lake : 1.058E+012  hours   (4.409E+010 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       1.87e-007       60.7         1000       
   Water     39              360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr




                    

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