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Search term: MF = 'C_{15}H_{12}F_{2}N_{2}O_{4}'
ChemSpider 2D Image | (E)-1-[2-(Difluoromethoxy)phenyl]-N-[(4-nitrobenzyl)oxy]methanimine | C15H12F2N2O4

(E)-1-[2-(Difluoromethoxy)phenyl]-N-[(4-nitrobenzyl)oxy]methanimine

  • Molecular FormulaC15H12F2N2O4
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5285722

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-[2-(Difluormethoxy)phenyl]-N-[(4-nitrobenzyl)oxy]methanimin [German] [ACD/IUPAC Name]
(E)-1-[2-(Difluoromethoxy)phenyl]-N-[(4-nitrobenzyl)oxy]methanimine [ACD/IUPAC Name]
(E)-1-[2-(Difluorométhoxy)phényl]-N-[(4-nitrobenzyl)oxy]méthanimine [French] [ACD/IUPAC Name]
Benzaldehyde, 2-(difluoromethoxy)-, O-[(4-nitrophenyl)methyl]oxime [ACD/Index Name]

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) =  4.25

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  397.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  147.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.5E-007  (Modified Grain method)
    Subcooled liquid VP: 9.66E-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):  0.8678
       log Kow used: 4.25 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.076523 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.53E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.688E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.25  (KowWin est)
  Log Kaw used:  -6.458  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.708
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4210
   Biowin2 (Non-Linear Model)     :   0.1385
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2593  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3515  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2546
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1035
 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):  0.00129 Pa (9.66E-006 mm Hg)
  Log Koa (Koawin est  ): 10.708
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00233 
       Octanol/air (Koa) model:  0.0125 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0776 
       Mackay model           :  0.157 
       Octanol/air (Koa) model:  0.501 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.6956 E-12 cm3/molecule-sec
      Half-Life =     0.373 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.473 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.117 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.693E+005
      Log Koc:  5.229 

 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 = 2.573 (BCF = 373.8)
       log Kow used: 4.25 (estimated)

 Volatilization from Water:
    Henry LC:  8.53E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.232E+005  hours   (5134 days)
    Half-Life from Model Lake : 1.344E+006  hours   (5.602E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              42.58  percent
    Total biodegradation:        0.42  percent
    Total sludge adsorption:    42.16  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       0.0544          8.94         1000       
   Water     11.5            900          1000       
   Soil      83.6            1.8e+003     1000       
   Sediment  4.85            8.1e+003     0          
     Persistence Time: 1.73e+003 hr

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