ChemSpider 2D Image | 2,5-Dimethyl-3,6-bis[(trimethylsilyl)oxy]-2,5-dihydropyrazine | C12H26N2O2Si2

2,5-Dimethyl-3,6-bis[(trimethylsilyl)oxy]-2,5-dihydropyrazine

  • Molecular FormulaC12H26N2O2Si2
  • Average mass286.518 Da
  • Monoisotopic mass286.153290 Da
  • ChemSpider ID481519

More details:

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

2,5-Dimethyl-3,6-bis[(trimethylsilyl)oxy]-2,5-dihydropyrazin [German] [ACD/IUPAC Name]
2,5-Diméthyl-3,6-bis[(triméthylsilyl)oxy]-2,5-dihydropyrazine [French] [ACD/IUPAC Name]
2,5-Dimethyl-3,6-bis[(trimethylsilyl)oxy]-2,5-dihydropyrazine [ACD/IUPAC Name]
Pyrazine, 2,5-dihydro-2,5-dimethyl-3,6-bis[(trimethylsilyl)oxy]- [ACD/Index Name]
Pyrazine, 3,6-dihydro-3,6-dimethyl-2,5-bis(trimethylsilyloxy)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 298.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.7±3.0 kJ/mol
Flash Point: 134.4±30.1 °C
Index of Refraction: 1.468
Molar Refractivity: 81.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 25.22
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 24.34
ACD/KOC (pH 7.4): 323.53
Polar Surface Area: 43 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 21.7±7.0 dyne/cm
Molar Volume: 291.2±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) =  6.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  295.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  86.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000631  (Modified Grain method)
    Subcooled liquid VP: 0.00243 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):  0.08732
       log Kow used: 6.12 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  335.03 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Silanes (alkoxy)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.59E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.724E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.12  (KowWin est)
  Log Kaw used:  -3.187  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.307
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6111
   Biowin2 (Non-Linear Model)     :   0.2573
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5660  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4344  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1121
   Biowin6 (MITI Non-Linear Model):   0.0029
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2784
 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):  0.324 Pa (0.00243 mm Hg)
  Log Koa (Koawin est  ): 9.307
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.26E-006 
       Octanol/air (Koa) model:  0.000498 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000334 
       Mackay model           :  0.00074 
       Octanol/air (Koa) model:  0.0383 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.8122 E-12 cm3/molecule-sec
      Half-Life =     0.722 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.665 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000537 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  7.336E+004
      Log Koc:  4.865 

 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 = 4.012 (BCF = 1.028e+004)
       log Kow used: 6.12 (estimated)

 Volatilization from Water:
    Henry LC:  1.59E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      64.06  hours   (2.669 days)
    Half-Life from Model Lake :      840.7  hours   (35.03 days)

 Removal In Wastewater Treatment:
    Total removal:              92.61  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.82  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.264           17.3         1000       
   Water     3.61            900          1000       
   Soil      34.1            1.8e+003     1000       
   Sediment  62              8.1e+003     0          
     Persistence Time: 2.55e+003 hr

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