ChemSpider 2D Image | bis(4-methylphenyl)methanamine | C15H17N

bis(4-methylphenyl)methanamine

  • Molecular FormulaC15H17N
  • Average mass211.302 Da
  • Monoisotopic mass211.136093 Da
  • ChemSpider ID2015827

More details:

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

1,1-Bis(4-methylphenyl)methanamin [German] [ACD/IUPAC Name]
1,1-Bis(4-methylphenyl)methanamine [ACD/IUPAC Name]
1,1-Bis(4-méthylphényl)méthanamine [French] [ACD/IUPAC Name]
55095-22-2 [RN]
Benzenemethanamine, 4-methyl-α-(4-methylphenyl)- [ACD/Index Name]
bis(4-methylphenyl)methanamine
[55095-22-2] [RN]
di-p-tolylmethanamine
MBHA Resin
MFCD08704285 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 339.5±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.3±3.0 kJ/mol
    Flash Point: 160.2±11.5 °C
    Index of Refraction: 1.583
    Molar Refractivity: 68.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.72
    ACD/LogD (pH 5.5): 0.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.65
    ACD/LogD (pH 7.4): 1.78
    ACD/BCF (pH 7.4): 6.32
    ACD/KOC (pH 7.4): 53.93
    Polar Surface Area: 26 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 41.2±3.0 dyne/cm
    Molar Volume: 205.8±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) =  3.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  328.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  95.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.78E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000428 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):  222.3
       log Kow used: 3.80 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  33.262 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines
       Benzyl Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.01E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.098E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.80  (KowWin est)
  Log Kaw used:  -5.610  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.410
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9101
   Biowin2 (Non-Linear Model)     :   0.9065
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6069  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4491  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2557
   Biowin6 (MITI Non-Linear Model):   0.1170
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4605
 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):  0.0571 Pa (0.000428 mm Hg)
  Log Koa (Koawin est  ): 9.410
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.26E-005 
       Octanol/air (Koa) model:  0.000631 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0019 
       Mackay model           :  0.00419 
       Octanol/air (Koa) model:  0.0481 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.5650 E-12 cm3/molecule-sec
      Half-Life =     0.207 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.489 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00304 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.756E+004
      Log Koc:  4.575 

 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 = 2.225 (BCF = 167.7)
       log Kow used: 3.80 (estimated)

 Volatilization from Water:
    Henry LC:  6.01E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.416E+004  hours   (590.1 days)
    Half-Life from Model Lake : 1.546E+005  hours   (6443 days)

 Removal In Wastewater Treatment:
    Total removal:              21.84  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    21.58  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       0.139           4.98         1000       
   Water     15.5            900          1000       
   Soil      82.1            1.8e+003     1000       
   Sediment  2.28            8.1e+003     0          
     Persistence Time: 1.25e+003 hr

    Click to predict properties on the Chemicalize site


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