Found 227 results

Search term: MF = 'C_{28}H_{20}N_{2}O_{2}'
ChemSpider 2D Image | MFCD00021618 | C28H20N2O2

MFCD00021618

  • Molecular FormulaC28H20N2O2
  • Average mass416.471 Da
  • Monoisotopic mass416.152466 Da
  • ChemSpider ID12998330

  • Double-bond stereo - Double-bond stereo

More details:

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

1,1'-{1,4-Phenylenbis[nitrilo(E)methylyliden]}di(2-naphthol) [German] [ACD/IUPAC Name]
1,1'-{1,4-Phenylenebis[nitrilo(E)methylylidene]}di(2-naphthol) [ACD/IUPAC Name]
1,1'-{1,4-Phénylènebis[nitrilo(E)méthylylidène]}di(2-naphtol) [French] [ACD/IUPAC Name]
1-{(E)-[(4-{[(E)-(2-hydroxy-1-naphthyl)methylidene]amino}phenyl)imino]methyl}-2-naphthol
17635-31-3 [RN]
2-Naphthalenol, 1,1'-[1,4-phenylenebis[nitrilo(E)methylidyne]]bis- [ACD/Index Name]
MFCD00021618
1-((1E)-2-{4-[(1E)-2-(2-hydroxynaphthyl)-1-azavinyl]phenyl}-2-azavinyl)naphtha len-2-ol
1-((1E)-2-{4-[(1E)-2-(2-hydroxynaphthyl)-1-azavinyl]phenyl}-2-azavinyl)naphthalen-2-ol
1,1'-((1,4-Phenylenebis(azanylylidene))bis(methanylylidene))bis(naphthalen-2-ol)
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 480.8±19.4 °C
Index of Refraction: 1.657
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 17751.72
ACD/KOC (pH 5.5): 38148.39
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 14655.09
ACD/KOC (pH 7.4): 31493.74
Polar Surface Area: 65 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 344.4±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) =  5.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  623.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  270.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.43E-016  (Modified Grain method)
    Subcooled liquid VP: 1.2E-013 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):  0.007929
       log Kow used: 5.80 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.026063 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.85E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.679E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.80  (KowWin est)
  Log Kaw used:  -14.121  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.921
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7809
   Biowin2 (Non-Linear Model)     :   0.2520
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3916  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3262  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2865
   Biowin6 (MITI Non-Linear Model):   0.0023
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4632
 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):  1.6E-011 Pa (1.2E-013 mm Hg)
  Log Koa (Koawin est  ): 19.921
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.88E+005 
       Octanol/air (Koa) model:  2.05E+007 
   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 = 205.5065 E-12 cm3/molecule-sec
      Half-Life =     0.052 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.625 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   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    :  9.209E+008
      Log Koc:  8.964 

 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 = 3.767 (BCF = 5849)
       log Kow used: 5.80 (estimated)

 Volatilization from Water:
    Henry LC:  1.85E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.459E+012  hours   (2.691E+011 days)
    Half-Life from Model Lake : 7.046E+013  hours   (2.936E+012 days)

 Removal In Wastewater Treatment:
    Total removal:              91.08  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    90.32  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       0.00772         1.25         1000       
   Water     4.34            900          1000       
   Soil      48.5            1.8e+003     1000       
   Sediment  47.2            8.1e+003     0          
     Persistence Time: 2.8e+003 hr

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