Found 1 result

Search term: 194416-45-0 (Found by approved synonym)
ChemSpider 2D Image | 4-Bromo-N,N-bis(4-methoxyphenyl)aniline | C20H18BrNO2

4-Bromo-N,N-bis(4-methoxyphenyl)aniline

  • Molecular FormulaC20H18BrNO2
  • Average mass384.266 Da
  • Monoisotopic mass383.052094 Da
  • ChemSpider ID8771535

More details:

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

194416-45-0 [RN]
4-Brom-N,N-bis(4-methoxyphenyl)anilin [German] [ACD/IUPAC Name]
4-Bromo-N,N-bis(4-methoxyphenyl)aniline [ACD/IUPAC Name]
4-Bromo-N,N-bis(4-méthoxyphényl)aniline [French] [ACD/IUPAC Name]
Benzenamine, 4-bromo-N,N-bis(4-methoxyphenyl)- [ACD/Index Name]
[194416-45-0] [RN]
4-Bromo-4' ,4' -dimethoxyltriphenylamine
4-bromo-4,4-dimethoxytriphenylamine
4-Bromo-4',4''-dimethoxytriphenylamine
4-BROMO-4?,4?-DIMETHOXYLTRIPHENYLAMINE
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 494.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.2±3.0 kJ/mol
    Flash Point: 252.9±27.3 °C
    Index of Refraction: 1.629
    Molar Refractivity: 101.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.94
    ACD/LogD (pH 5.5): 5.01
    ACD/BCF (pH 5.5): 3784.87
    ACD/KOC (pH 5.5): 12669.59
    ACD/LogD (pH 7.4): 5.01
    ACD/BCF (pH 7.4): 3784.87
    ACD/KOC (pH 7.4): 12669.59
    Polar Surface Area: 22 Å2
    Polarizability: 40.1±0.5 10-24cm3
    Surface Tension: 46.1±3.0 dyne/cm
    Molar Volume: 284.8±3.0 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) =  6.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  444.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  175.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.89E-008  (Modified Grain method)
    Subcooled liquid VP: 6.89E-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):  0.02332
       log Kow used: 6.11 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.028174 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.54E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.098E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.11  (KowWin est)
  Log Kaw used:  -6.511  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.621
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5128
   Biowin2 (Non-Linear Model)     :   0.1356
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8429  (months      )
   Biowin4 (Primary Survey Model) :   3.0061  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1408
   Biowin6 (MITI Non-Linear Model):   0.0223
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1870
 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):  9.19E-005 Pa (6.89E-007 mm Hg)
  Log Koa (Koawin est  ): 12.621
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0327 
       Octanol/air (Koa) model:  1.03 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.541 
       Mackay model           :  0.723 
       Octanol/air (Koa) model:  0.988 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 201.6592 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.636 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.632 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.096E+004
      Log Koc:  4.785 

 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 = 4.002 (BCF = 1.006e+004)
       log Kow used: 6.11 (estimated)

 Volatilization from Water:
    Henry LC:  7.54E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.522E+005  hours   (6343 days)
    Half-Life from Model Lake : 1.661E+006  hours   (6.92E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              92.57  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.80  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       0.0113          1.27         1000       
   Water     2.56            1.44e+003    1000       
   Soil      39.1            2.88e+003    1000       
   Sediment  58.4            1.3e+004     0          
     Persistence Time: 4.21e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement