Found 27 results

Search term: MF = 'C_{17}H_{8}F_{10}N_{2}O_{2}'
ChemSpider 2D Image | (1E,2E)-N,N'-Bis[(pentafluorobenzyl)oxy]-1,2-propanediimine | C17H8F10N2O2

(1E,2E)-N,N'-Bis[(pentafluorobenzyl)oxy]-1,2-propanediimine

  • Molecular FormulaC17H8F10N2O2
  • Average mass462.242 Da
  • Monoisotopic mass462.042603 Da
  • ChemSpider ID7877666

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,2E)-N,N'-Bis[(pentafluorbenzyl)oxy]-1,2-propandiimin [German] [ACD/IUPAC Name]
(1E,2E)-N,N'-Bis[(pentafluorobenzyl)oxy]-1,2-propanediimine [ACD/IUPAC Name]
(1E,2E)-N,N'-Bis[(pentafluorobenzyl)oxy]-1,2-propanediimine [French] [ACD/IUPAC Name]
Propanal, 2-[[(2,3,4,5,6-pentafluorophenyl)methoxy]imino]-, O-[(2,3,4,5,6-pentafluorophenyl)methyl]oxime, (1E,2E)- [ACD/Index Name]
Glyoxal dioxime, methyl-o,o'-bis[(pentafluorophenyl)methyl]-
Methylglyoxal bis-(O-2,3,4,5,6-PFBHA-oxime)
Methylglyoxal bis-(O-pentafluorophenylmethyl-oxime)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 385.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 187.1±30.7 °C
Index of Refraction: 1.468
Molar Refractivity: 83.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3273.63
ACD/KOC (pH 5.5): 11419.65
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3273.63
ACD/KOC (pH 7.4): 11419.65
Polar Surface Area: 43 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 25.5±7.0 dyne/cm
Molar Volume: 299.6±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) =  5.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  356.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  125.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.29E-006  (Modified Grain method)
    Subcooled liquid VP: 9.27E-005 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):  0.0558
       log Kow used: 5.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0043764 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.47E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.013E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.09  (KowWin est)
  Log Kaw used:  -4.221  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.311
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -7.5724
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):  -1.8917  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.3154  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.6509
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5760
 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):  0.0124 Pa (9.27E-005 mm Hg)
  Log Koa (Koawin est  ): 9.311
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000243 
       Octanol/air (Koa) model:  0.000502 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00869 
       Mackay model           :  0.019 
       Octanol/air (Koa) model:  0.0386 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.9536 E-12 cm3/molecule-sec
      Half-Life =     2.705 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    32.465 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0139 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.112E+008
      Log Koc:  8.325 

 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 = 3.221 (BCF = 1665)
       log Kow used: 5.09 (estimated)

 Volatilization from Water:
    Henry LC:  1.47E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      858.5  hours   (35.77 days)
    Half-Life from Model Lake :       9546  hours   (397.7 days)

 Removal In Wastewater Treatment:
    Total removal:              80.37  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    79.66  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.234           64.9         1000       
   Water     3.98            4.32e+003    1000       
   Soil      72.3            8.64e+003    1000       
   Sediment  23.5            3.89e+004    0          
     Persistence Time: 6.2e+003 hr

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