ChemSpider 2D Image | Benzylimidobis(p-methoxyphenyl)methane | C22H21NO2

Benzylimidobis(p-methoxyphenyl)methane

  • Molecular FormulaC22H21NO2
  • Average mass331.408 Da
  • Monoisotopic mass331.157227 Da
  • ChemSpider ID61535

More details:

Featured data source
The Merck Index Online

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

208-367-0 [EINECS]
524-96-9 [RN]
Benzenemethanamine, N-[bis(4-methoxyphenyl)methylene]- [ACD/Index Name]
BENZYL[BIS(4-METHOXYPHENYL)METHYLIDENE]AMINE
Benzylimidobis(p-methoxyphenyl)methane
n-[bis(4-methoxyphenyl)methylene]-1-phenylmethanamine
N-[Bis(4-methoxyphenyl)methylene]benzenemethanamine
N-Benzyl-1,1-bis(4-methoxyphenyl)methanimin [German] [ACD/IUPAC Name]
N-Benzyl-1,1-bis(4-methoxyphenyl)methanimine [ACD/IUPAC Name]
N-Benzyl-1,1-bis(4-méthoxyphényl)méthanimine [French] [ACD/IUPAC Name]
More...

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

9RA7WPY0RR [DBID]
NSC32182 [DBID]
UNII:9RA7WPY0RR [DBID]
UNII-9RA7WPY0RR [DBID]
ZINC00501249 [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: 454.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 183.5±21.2 °C
Index of Refraction: 1.555
Molar Refractivity: 101.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2611.69
ACD/KOC (pH 5.5): 9209.64
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3143.20
ACD/KOC (pH 7.4): 11083.89
Polar Surface Area: 31 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 37.1±7.0 dyne/cm
Molar Volume: 317.1±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) =  5.65

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  438.94  (Adapted Stein & Brown method)
    Melting Pt (deg C):  160.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.18E-007  (Modified Grain method)
    MP  (exp database):  90 deg C
    Subcooled liquid VP: 9.23E-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):  0.121
       log Kow used: 5.65 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00073848 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.93E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.857E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.65  (KowWin est)
  Log Kaw used:  -6.438  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.088
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9817
   Biowin2 (Non-Linear Model)     :   0.9900
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3726  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5287  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1686
   Biowin6 (MITI Non-Linear Model):   0.0511
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0032
 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):  0.000123 Pa (9.23E-007 mm Hg)
  Log Koa (Koawin est  ): 12.088
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0244 
       Octanol/air (Koa) model:  0.301 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.468 
       Mackay model           :  0.661 
       Octanol/air (Koa) model:  0.96 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  59.0336 E-12 cm3/molecule-sec
      Half-Life =     0.181 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.174 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.565 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  7.505E+005
      Log Koc:  5.875 

 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 = 3.647 (BCF = 4434)
       log Kow used: 5.65 (estimated)

 Volatilization from Water:
    Henry LC:  8.93E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.194E+005  hours   (4973 days)
    Half-Life from Model Lake : 1.302E+006  hours   (5.426E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              89.90  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    89.15  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       0.0317          4.35         1000       
   Water     5.16            900          1000       
   Soil      51.3            1.8e+003     1000       
   Sediment  43.5            8.1e+003     0          
     Persistence Time: 2.57e+003 hr

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