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Search term: 134030-22-1 (Found by approved synonym)
ChemSpider 2D Image | N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine | C26H40N2

N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine

  • Molecular FormulaC26H40N2
  • Average mass380.609 Da
  • Monoisotopic mass380.319153 Da
  • ChemSpider ID4415815

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

1,2-Ethanediamine, N1,N2-bis[2,6-bis(1-methylethyl)phenyl]- [ACD/Index Name]
134030-22-1 [RN]
MFCD10000903 [MDL number]
N,N'-Bis(2,6-diisopropylphenyl)-1,2-ethandiamin [German] [ACD/IUPAC Name]
N,N'-Bis(2,6-diisopropylphenyl)-1,2-ethanediamine [ACD/IUPAC Name]
N,N'-Bis(2,6-diisopropylphényl)-1,2-éthanediamine [French] [ACD/IUPAC Name]
N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine
N1,N2-Bis(2,6-diisopropylphenyl)ethane-1,2-diamine
N1,N2-Bis[2,6-bis(1-methylethyl)phenyl]-1,2-ethanediamine
[134030-22-1] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [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: 503.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 288.9±21.9 °C
    Index of Refraction: 1.562
    Molar Refractivity: 126.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 8.13
    ACD/LogD (pH 5.5): 7.06
    ACD/BCF (pH 5.5): 132783.08
    ACD/KOC (pH 5.5): 155772.77
    ACD/LogD (pH 7.4): 7.12
    ACD/BCF (pH 7.4): 151177.53
    ACD/KOC (pH 7.4): 177351.98
    Polar Surface Area: 24 Å2
    Polarizability: 50.1±0.5 10-24cm3
    Surface Tension: 36.9±3.0 dyne/cm
    Molar Volume: 389.5±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) =  8.73

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  448.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  170.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.7E-008  (Modified Grain method)
    Subcooled liquid VP: 5.36E-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):  0.0001415
       log Kow used: 8.73 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0003719 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.51E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.017E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.73  (KowWin est)
  Log Kaw used:  -6.734  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.464
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3175
   Biowin2 (Non-Linear Model)     :   0.0198
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7887  (months      )
   Biowin4 (Primary Survey Model) :   2.8077  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.6232
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2022
 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):  7.15E-005 Pa (5.36E-007 mm Hg)
  Log Koa (Koawin est  ): 15.464
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.042 
       Octanol/air (Koa) model:  714 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.603 
       Mackay model           :  0.771 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 154.0126 E-12 cm3/molecule-sec
      Half-Life =     0.069 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.833 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.687 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.317E+006
      Log Koc:  6.635 

 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 = 2.441 (BCF = 276.1)
       log Kow used: 8.73 (estimated)

 Volatilization from Water:
    Henry LC:  4.51E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.533E+005  hours   (1.055E+004 days)
    Half-Life from Model Lake : 2.763E+006  hours   (1.151E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.0102          1.67         1000       
   Water     1.3             1.44e+003    1000       
   Soil      34.5            2.88e+003    1000       
   Sediment  64.2            1.3e+004     0          
     Persistence Time: 5.19e+003 hr

    Click to predict properties on the Chemicalize site


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