Found 144 results

Search term: MF = 'C_{28}H_{24}N_{2}'
ChemSpider 2D Image | (1E,2E)-Bis[1-(4-biphenylyl)ethylidene]hydrazine | C28H24N2

(1E,2E)-Bis[1-(4-biphenylyl)ethylidene]hydrazine

  • Molecular FormulaC28H24N2
  • Average mass388.504 Da
  • Monoisotopic mass388.193939 Da
  • ChemSpider ID4523382

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,2E)-Bis[1-(4-biphenylyl)ethyliden]hydrazin [German] [ACD/IUPAC Name]
(1E,2E)-Bis[1-(4-biphenylyl)ethylidene]hydrazine [ACD/IUPAC Name]
(1E,2E)-Bis[1-(4-biphénylyl)éthylidène]hydrazine [French] [ACD/IUPAC Name]
Ethanone, 1-[1,1'-biphenyl]-4-yl-, 2-[(1E)-1-[1,1'-biphenyl]-4-ylethylidene]hydrazone, (1E)- [ACD/Index Name]
(1E,2E)-bis[1-(biphenyl-4-yl)ethylidene]hydrazine
1-(4-biphenylyl)ethanone [1-(4-biphenylyl)ethylidene]hydrazone
29366-38-9 [RN]
ETHANONE,1-[1,1'-BIPHENYL]-4-YL-, 2-(1-[1,1'-BIPHENYL]-4-YLETHYLIDENE)HYDRAZONE

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

NSC92842 [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: 530.2±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 267.6±29.0 °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: 7.05
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 2665.45
ACD/KOC (pH 5.5): 3280.97
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 60526.65
ACD/KOC (pH 7.4): 74503.74
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) =  10.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  540.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  215.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.31E-011  (Modified Grain method)
    Subcooled liquid VP: 2.51E-009 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):  5.519e-006
       log Kow used: 10.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.4201e-007 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.00E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.140E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.32  (KowWin est)
  Log Kaw used:  -4.786  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.106
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8188
   Biowin2 (Non-Linear Model)     :   0.7484
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3846  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2970  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2949
   Biowin6 (MITI Non-Linear Model):   0.0015
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6044
 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):  3.35E-007 Pa (2.51E-009 mm Hg)
  Log Koa (Koawin est  ): 15.106
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.96 
       Octanol/air (Koa) model:  313 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.997 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.2366 E-12 cm3/molecule-sec
      Half-Life =     0.702 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.424 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.763E+008
      Log Koc:  8.441 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 10.32 (estimated)

 Volatilization from Water:
    Henry LC:  4E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2887  hours   (120.3 days)
    Half-Life from Model Lake : 3.166E+004  hours   (1319 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.118           16.8         1000       
   Water     1.76            900          1000       
   Soil      33.2            1.8e+003     1000       
   Sediment  64.9            8.1e+003     0          
     Persistence Time: 3.47e+003 hr

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