Found 56 results

Search term: MF = 'C_{32}H_{22}N_{4}'
ChemSpider 2D Image | N,N'-Bis[(E)-pyridin-2-ylmethylene]-1,1'-binaphthalene-4,4'-diamine | C32H22N4

N,N'-Bis[(E)-pyridin-2-ylmethylene]-1,1'-binaphthalene-4,4'-diamine

  • Molecular FormulaC32H22N4
  • Average mass462.544 Da
  • Monoisotopic mass462.184448 Da
  • ChemSpider ID1462923

  • Double-bond stereo - Double-bond stereo

More details:

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

(E,E)-N,N'-1,1'-Binaphtalène-4,4'-diylbis[1-(2-pyridinyl)méthanimine] [French] [ACD/IUPAC Name]
(E,E)-N,N'-1,1'-Binaphthalene-4,4'-diylbis[1-(2-pyridinyl)methanimine] [ACD/IUPAC Name]
(E,E)-N,N'-1,1'-Binaphthalin-4,4'-diylbis[1-(2-pyridinyl)methanimin] [German] [ACD/IUPAC Name]
[1,1'-Binaphthalene]-4,4'-diamine, N4,N4'-bis[(1E)-2-pyridinylmethylene]- [ACD/Index Name]
N,N'-Bis[(E)-pyridin-2-ylmethylene]-1,1'-binaphthalene-4,4'-diamine
(N4E,N4'E)-N4,N4'-bis(pyridin-2-ylmethylene)-[1,1'-binaphthalene]-4,4'-diamine
330449-48-4 [RN]
N*4*,N*4'*-Bis-pyridin-2-ylmethylene-[1,1']binaphthalenyl-4,4'-diamine
N,N'-bis[(E)-pyridin-2-ylmethylidene]-1,1'-binaphthalene-4,4'-diamine

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

BAS 00433329 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 693.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 98.0±3.0 kJ/mol
    Flash Point: 373.4±31.5 °C
    Index of Refraction: 1.667
    Molar Refractivity: 146.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.04
    ACD/LogD (pH 5.5): 5.98
    ACD/BCF (pH 5.5): 20530.47
    ACD/KOC (pH 5.5): 42478.44
    ACD/LogD (pH 7.4): 5.98
    ACD/BCF (pH 7.4): 20568.74
    ACD/KOC (pH 7.4): 42557.62
    Polar Surface Area: 51 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 48.2±7.0 dyne/cm
    Molar Volume: 394.9±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) =  6.15

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  662.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  288.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.99E-015  (Modified Grain method)
    Subcooled liquid VP: 1.67E-012 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):  0.01078
       log Kow used: 6.15 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00026301 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.25E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.124E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.15  (KowWin est)
  Log Kaw used:  -13.036  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.186
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2182
   Biowin2 (Non-Linear Model)     :   0.0011
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7486  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.1429  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.5861
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2758
 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):  2.23E-010 Pa (1.67E-012 mm Hg)
  Log Koa (Koawin est  ): 19.186
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.35E+004 
       Octanol/air (Koa) model:  3.77E+006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  45.6286 E-12 cm3/molecule-sec
      Half-Life =     0.234 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.813 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.277E+008
      Log Koc:  8.722 

 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 = 4.035 (BCF = 1.083e+004)
       log Kow used: 6.15 (estimated)

 Volatilization from Water:
    Henry LC:  2.25E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.596E+011  hours   (2.332E+010 days)
    Half-Life from Model Lake : 6.105E+012  hours   (2.544E+011 days)

 Removal In Wastewater Treatment:
    Total removal:              92.70  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.93  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       0.00227         5.63         1000       
   Water     1.07            4.32e+003    1000       
   Soil      57.5            8.64e+003    1000       
   Sediment  41.4            3.89e+004    0          
     Persistence Time: 1.29e+004 hr

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