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ChemSpider 2D Image | Glyoxal-bis(mesitylimine) | C20H24N2

Glyoxal-bis(mesitylimine)

  • Molecular FormulaC20H24N2
  • Average mass292.418 Da
  • Monoisotopic mass292.193939 Da
  • ChemSpider ID2971578
  • Double-bond stereo - Double-bond stereo


More details:






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

(1E,2E)-N,N'-Dimesityl-1,2-ethandiimin [German] [ACD/IUPAC Name]
(1E,2E)-N,N'-Dimesityl-1,2-ethanediimine [ACD/IUPAC Name]
(1E,2E)-N,N'-Dimésityl-1,2-éthanediimine [French] [ACD/IUPAC Name]
Benzenamine, N,N'-(1E,2E)-1,2-ethanediylidenebis[2,4,6-trimethyl- [ACD/Index Name]
Glyoxal-bis(mesitylimine) [Wiki]
N,N′-dimesityl-1,4-diaza-1,3-butadiene
N,N'-Dimesitylethanediimine
(N,N'E,N,N'E)-N,N'-(ethane-1,2-diylidene)bis(2,4,6-trimethylaniline)
56222-36-7 [RN]
647032-09-5 [RN]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 463.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 226.7±32.3 °C
Index of Refraction: 1.540
Molar Refractivity: 94.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24374.13
ACD/KOC (pH 5.5): 47990.07
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24490.95
ACD/KOC (pH 7.4): 48220.09
Polar Surface Area: 25 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 30.9±7.0 dyne/cm
Molar Volume: 301.7±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) =  5.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  397.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  133.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.94E-007  (Modified Grain method)
    Subcooled liquid VP: 9.81E-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):  0.1173
       log Kow used: 5.93 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.066281 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.84E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.605E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.93  (KowWin est)
  Log Kaw used:  -2.704  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.634
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9363
   Biowin2 (Non-Linear Model)     :   0.9104
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1038  (months      )
   Biowin4 (Primary Survey Model) :   3.0147  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0225
   Biowin6 (MITI Non-Linear Model):   0.0221
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.1080
 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):  0.00131 Pa (9.81E-006 mm Hg)
  Log Koa (Koawin est  ): 8.634
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00229 
       Octanol/air (Koa) model:  0.000106 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0765 
       Mackay model           :  0.155 
       Octanol/air (Koa) model:  0.00838 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  81.6998 E-12 cm3/molecule-sec
      Half-Life =     0.131 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.571 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.116 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.389E+006
      Log Koc:  6.143 

 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 = 3.866 (BCF = 7342)
       log Kow used: 5.93 (estimated)

 Volatilization from Water:
    Henry LC:  4.84E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      22.43  hours
    Half-Life from Model Lake :      388.1  hours   (16.17 days)

 Removal In Wastewater Treatment:
    Total removal:              91.84  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.01  percent
    Total to Air:                0.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0447          3.14         1000       
   Water     3.16            1.44e+003    1000       
   Soil      40.4            2.88e+003    1000       
   Sediment  56.4            1.3e+004     0          
     Persistence Time: 3.46e+003 hr




                    

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