Found 146 results

Search term: MF = 'C_{32}H_{24}N_{2}O_{2}'
ChemSpider 2D Image | MFCD00030042 | C32H24N2O2

MFCD00030042

  • Molecular FormulaC32H24N2O2
  • Average mass468.545 Da
  • Monoisotopic mass468.183777 Da
  • ChemSpider ID3387735

  • 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-(4-phenoxyphenyl)methanimin] [German] [ACD/IUPAC Name]
(E,E)-1,4-Phenylenebis[N-(4-phenoxyphenyl)methanimine] [ACD/IUPAC Name]
(E,E)-1,4-Phénylènebis[N-(4-phénoxyphényl)méthanimine] [French] [ACD/IUPAC Name]
81431-07-4 [RN]
Benzenamine, N,N'-[1,4-phenylenedi(E)methylidyne]bis[4-phenoxy- [ACD/Index Name]
MFCD00030042
N,N'-(1,4-Phenylenebis(methanylylidene))bis(4-phenoxyaniline)
N,N'-TEREPHTHALYLIDENEBIS(4-PHENOXYANILINE)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 633.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 267.6±22.6 °C
Index of Refraction: 1.601
Molar Refractivity: 146.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 134646.55
ACD/KOC (pH 5.5): 163191.31
ACD/LogD (pH 7.4): 7.05
ACD/BCF (pH 7.4): 135033.25
ACD/KOC (pH 7.4): 163660.00
Polar Surface Area: 43 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 427.0±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) =  8.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  604.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  261.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.51E-013  (Modified Grain method)
    Subcooled liquid VP: 5.8E-011 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):  5.991e-005
       log Kow used: 8.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.5022e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.60E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.554E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.52  (KowWin est)
  Log Kaw used:  -7.454  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.974
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0445
   Biowin2 (Non-Linear Model)     :   0.9885
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0915  (months      )
   Biowin4 (Primary Survey Model) :   3.3357  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1301
   Biowin6 (MITI Non-Linear Model):   0.0056
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4048
 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):  7.73E-009 Pa (5.8E-011 mm Hg)
  Log Koa (Koawin est  ): 15.974
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  388 
       Octanol/air (Koa) model:  2.31E+003 
   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 =  30.0827 E-12 cm3/molecule-sec
      Half-Life =     0.356 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.267 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    :  6.318E+008
      Log Koc:  8.801 

 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 = 2.724 (BCF = 530)
       log Kow used: 8.52 (estimated)

 Volatilization from Water:
    Henry LC:  8.6E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.474E+006  hours   (6.14E+004 days)
    Half-Life from Model Lake : 1.608E+007  hours   (6.699E+005 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       0.0543          8.53         1000       
   Water     1.32            1.44e+003    1000       
   Soil      33.4            2.88e+003    1000       
   Sediment  65.2            1.3e+004     0          
     Persistence Time: 5.06e+003 hr

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