ChemSpider 2D Image | (1E,2E)-Bis[(5-nitro-2-furyl)methylene]hydrazine | C10H6N4O6

(1E,2E)-Bis[(5-nitro-2-furyl)methylene]hydrazine

  • Molecular FormulaC10H6N4O6
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5281105

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,2E)-Bis[(5-nitro-2-furyl)methylen]hydrazin [German] [ACD/IUPAC Name]
(1E,2E)-Bis[(5-nitro-2-furyl)methylene]hydrazine [ACD/IUPAC Name]
(1E,2E)-Bis[(5-nitro-2-furyl)méthylène]hydrazine [French] [ACD/IUPAC Name]
2-Furancarboxaldehyde, 5-nitro-, ((5-nitro-2-furanyl)methylene)hydrazone
2-Furancarboxaldehyde, 5-nitro-, [(5-nitro-2-furanyl)methylene]hydrazone
2-Furancarboxaldehyde, 5-nitro-, 2-[(1E)-(5-nitro-2-furanyl)methylene]hydrazone [ACD/Index Name]
(1E,2E)-1,2-bis((5-nitrofuran-2-yl)methylene)hydrazine
(E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine
(E,E)-BIS[(5-NITROFURAN-2-YL)METHYLIDENE]HYDRAZINE
112537-96-9 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A0841/0039442 [DBID]

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

No predicted properties have been calculated for this compound.

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.85

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  398.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  147.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.22E-007  (Modified Grain method)
    Subcooled liquid VP: 9.04E-006 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):  24.49
       log Kow used: 2.85 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  30.462 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.97E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.802E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.85  (KowWin est)
  Log Kaw used:  -7.612  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.462
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0050
   Biowin2 (Non-Linear Model)     :   0.0026
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2452  (months      )
   Biowin4 (Primary Survey Model) :   3.2296  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4773
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0924
 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):  0.00121 Pa (9.04E-006 mm Hg)
  Log Koa (Koawin est  ): 10.462
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00249 
       Octanol/air (Koa) model:  0.00711 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0825 
       Mackay model           :  0.166 
       Octanol/air (Koa) model:  0.363 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.8973 E-12 cm3/molecule-sec
      Half-Life =     0.383 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.601 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.124 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.77E+004
      Log Koc:  4.442 

 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 = 1.497 (BCF = 31.37)
       log Kow used: 2.85 (estimated)

 Volatilization from Water:
    Henry LC:  5.97E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.636E+006  hours   (6.815E+004 days)
    Half-Life from Model Lake : 1.784E+007  hours   (7.435E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               4.60  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.48  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       0.00341         9.2          1000       
   Water     11.6            1.44e+003    1000       
   Soil      88.2            2.88e+003    1000       
   Sediment  0.206           1.3e+004     0          
     Persistence Time: 2.58e+003 hr

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