ChemSpider 2D Image | MFCD00025964 | C24H24N2

MFCD00025964

  • Molecular FormulaC24H24N2
  • Average mass340.461 Da
  • Monoisotopic mass340.193939 Da
  • ChemSpider ID282023

  • Double-bond stereo - Double-bond stereo

More details:

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

(E,E)-1,4-Phenylenbis[N-(3,5-dimethylphenyl)methanimin] [German] [ACD/IUPAC Name]
(E,E)-1,4-Phenylenebis[N-(3,5-dimethylphenyl)methanimine] [ACD/IUPAC Name]
(E,E)-1,4-Phénylènebis[N-(3,5-diméthylphényl)méthanimine] [French] [ACD/IUPAC Name]
39909-84-7 [RN]
Benzenamine, N,N'-[1,4-phenylenedi(E)methylidyne]bis[3,5-dimethyl- [ACD/Index Name]
MFCD00025964
N,N'-[1,4-Phenylenedi(E)methylylidene]bis(3,5-dimethylaniline)
(1E)-2-{4-[(1E)-2-(3,5-dimethylphenyl)-2-azavinyl]phenyl}-1-(3,5-dimethylphenyl)-1-azaethene
(3,5-dimethylphenyl)(4-{[(3,5-dimethylphenyl)imino]methyl}benzylidene)amine
(3,5-dimethylphenyl)[(1E)-(4-{(E)-[(3,5-dimethylphenyl)imino]methyl}phenyl)methylene]amine
More...

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

AG-205/32423061 [DBID]
NSC255311 [DBID]
ZINC01557534 [DBID]
ZINC04549655 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 531.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.6±3.0 kJ/mol
    Flash Point: 268.1±30.9 °C
    Index of Refraction: 1.567
    Molar Refractivity: 110.9±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.85
    ACD/LogD (pH 5.5): 5.81
    ACD/BCF (pH 5.5): 15336.06
    ACD/KOC (pH 5.5): 34462.28
    ACD/LogD (pH 7.4): 5.81
    ACD/BCF (pH 7.4): 15382.43
    ACD/KOC (pH 7.4): 34566.49
    Polar Surface Area: 25 Å2
    Polarizability: 44.0±0.5 10-24cm3
    Surface Tension: 35.2±7.0 dyne/cm
    Molar Volume: 339.2±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) =  6.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  457.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  177.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.19E-009  (Modified Grain method)
    Subcooled liquid VP: 3.11E-007 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):  0.01636
       log Kow used: 6.60 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.003272 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.67E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.243E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.60  (KowWin est)
  Log Kaw used:  -3.962  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.562
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8041
   Biowin2 (Non-Linear Model)     :   0.6183
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1474  (months      )
   Biowin4 (Primary Survey Model) :   3.0824  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0722
   Biowin6 (MITI Non-Linear Model):   0.0128
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5391
 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):  4.15E-005 Pa (3.11E-007 mm Hg)
  Log Koa (Koawin est  ): 10.562
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0723 
       Octanol/air (Koa) model:  0.00895 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.723 
       Mackay model           :  0.853 
       Octanol/air (Koa) model:  0.417 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.7213 E-12 cm3/molecule-sec
      Half-Life =     0.400 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.803 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.788 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.804E+007
      Log Koc:  7.256 

 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 = 4.381 (BCF = 2.406e+004)
       log Kow used: 6.60 (estimated)

 Volatilization from Water:
    Henry LC:  2.67E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      406.5  hours   (16.94 days)
    Half-Life from Model Lake :       4589  hours   (191.2 days)

 Removal In Wastewater Treatment:
    Total removal:              93.56  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.78  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       0.067           9.61         1000       
   Water     1.75            1.44e+003    1000       
   Soil      35.2            2.88e+003    1000       
   Sediment  62.9            1.3e+004     0          
     Persistence Time: 4.72e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement