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Search term: MF = 'C_{28}H_{24}N_{2}'
ChemSpider 2D Image | (1E,2E)-N,N'-Bis(2-methylphenyl)-1,2-diphenyl-1,2-ethanediimine | C28H24N2

(1E,2E)-N,N'-Bis(2-methylphenyl)-1,2-diphenyl-1,2-ethanediimine

  • Molecular FormulaC28H24N2
  • Average mass388.504 Da
  • Monoisotopic mass388.193939 Da
  • ChemSpider ID18348008

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,2E)-N,N'-Bis(2-methylphenyl)-1,2-diphenyl-1,2-ethandiimin [German] [ACD/IUPAC Name]
(1E,2E)-N,N'-Bis(2-methylphenyl)-1,2-diphenyl-1,2-ethanediimine [ACD/IUPAC Name]
(1E,2E)-N,N'-Bis(2-méthylphényl)-1,2-diphényl-1,2-éthanediimine [French] [ACD/IUPAC Name]
Benzenamine, N,N'-[(1E,2E)-1,2-diphenyl-1,2-ethanediylidene]bis[2-methyl- [ACD/Index Name]
328110-37-8 [RN]
DEUYSGWDVHBEOV-UHFFFAOYSA-N
N-(2-methylphenyl)-N-{2-[(2-methylphenyl)imino]-1,2-diphenylethylidene}amine

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 561.3±53.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 81.3±3.0 kJ/mol
    Flash Point: 286.6±31.8 °C
    Index of Refraction: 1.590
    Molar Refractivity: 127.1±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 8.18
    ACD/LogD (pH 5.5): 7.11
    ACD/BCF (pH 5.5): 149448.94
    ACD/KOC (pH 5.5): 175983.31
    ACD/LogD (pH 7.4): 7.11
    ACD/BCF (pH 7.4): 149457.80
    ACD/KOC (pH 7.4): 175993.75
    Polar Surface Area: 25 Å2
    Polarizability: 50.4±0.5 10-24cm3
    Surface Tension: 38.9±7.0 dyne/cm
    Molar Volume: 376.7±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) =  8.49

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  512.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  200.40  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.85E-010  (Modified Grain method)
    Subcooled liquid VP: 1.31E-008 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):  0.0002025
       log Kow used: 8.49 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.6429e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.13E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.670E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.49  (KowWin est)
  Log Kaw used:  -5.060  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.550
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9281
   Biowin2 (Non-Linear Model)     :   0.9041
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2349  (months      )
   Biowin4 (Primary Survey Model) :   3.1599  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2128
   Biowin6 (MITI Non-Linear Model):   0.0027
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1888
 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):  1.75E-006 Pa (1.31E-008 mm Hg)
  Log Koa (Koawin est  ): 13.550
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.72 
       Octanol/air (Koa) model:  8.71 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.984 
       Mackay model           :  0.993 
       Octanol/air (Koa) model:  0.999 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.0314 E-12 cm3/molecule-sec
      Half-Life =     0.534 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.408 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.988 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.821E+008
      Log Koc:  8.450 

 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 = 2.768 (BCF = 586.7)
       log Kow used: 8.49 (estimated)

 Volatilization from Water:
    Henry LC:  2.13E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       5420  hours   (225.8 days)
    Half-Life from Model Lake : 5.929E+004  hours   (2471 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.0686          12.8         1000       
   Water     1.3             1.44e+003    1000       
   Soil      34.4            2.88e+003    1000       
   Sediment  64.2            1.3e+004     0          
     Persistence Time: 5.17e+003 hr

    Click to predict properties on the Chemicalize site


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