Found 1 result

Search term: 118578-71-5 (Found by approved synonym)
ChemSpider 2D Image | MFCD00192390 | C20H17N

MFCD00192390

  • Molecular FormulaC20H17N
  • Average mass271.356 Da
  • Monoisotopic mass271.136108 Da
  • ChemSpider ID3362179

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-Benzyl-1-(4-biphenylyl)methanimin [German] [ACD/IUPAC Name]
(E)-N-Benzyl-1-(4-biphenylyl)methanimine [ACD/IUPAC Name]
(E)-N-Benzyl-1-(4-biphénylyl)méthanimine [French] [ACD/IUPAC Name]
118578-71-5 [RN]
Benzenemethanamine, N-[(1E)-[1,1'-biphenyl]-4-ylmethylene]- [ACD/Index Name]
MFCD00192390
N-(4-Biphenylylmethylene)benzylamine
N-(4-Phenylbenzylidene)benzylamine
4-(Phenylazo)diphenylamine
atoms 21 bonds 23
More...

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

3303002 [DBID]
78166_FLUKA [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: 422.9±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 202.1±26.5 °C
Index of Refraction: 1.572
Molar Refractivity: 90.1±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2831.46
ACD/KOC (pH 5.5): 9952.25
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3182.53
ACD/KOC (pH 7.4): 11186.23
Polar Surface Area: 12 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 38.5±7.0 dyne/cm
Molar Volume: 273.7±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) =  5.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  408.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  128.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.71E-007  (Modified Grain method)
    Subcooled liquid VP: 5.05E-006 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):  0.6866
       log Kow used: 5.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0056927 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.43E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.449E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.17  (KowWin est)
  Log Kaw used:  -4.003  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.173
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8745
   Biowin2 (Non-Linear Model)     :   0.9401
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6435  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4660  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0456
   Biowin6 (MITI Non-Linear Model):   0.0296
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0378
 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):  0.000673 Pa (5.05E-006 mm Hg)
  Log Koa (Koawin est  ): 9.173
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00446 
       Octanol/air (Koa) model:  0.000366 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.139 
       Mackay model           :  0.263 
       Octanol/air (Koa) model:  0.0284 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.1827 E-12 cm3/molecule-sec
      Half-Life =     0.704 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.454 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.201 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.451E+006
      Log Koc:  6.162 

 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 = 3.283 (BCF = 1918)
       log Kow used: 5.17 (estimated)

 Volatilization from Water:
    Henry LC:  2.43E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      398.6  hours   (16.61 days)
    Half-Life from Model Lake :       4486  hours   (186.9 days)

 Removal In Wastewater Treatment:
    Total removal:              82.42  percent
    Total biodegradation:        0.71  percent
    Total sludge adsorption:    81.69  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.363           16.9         1000       
   Water     9.74            900          1000       
   Soil      57.9            1.8e+003     1000       
   Sediment  32              8.1e+003     0          
     Persistence Time: 1.63e+003 hr

Click to predict properties on the Chemicalize site


Advertisement