ChemSpider 2D Image | 2-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-N-(2-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}ethyl)ethanamine | C16H39NO2Si2

2-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-N-(2-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}ethyl)ethanamine

  • Molecular FormulaC16H39NO2Si2
  • Average mass333.657 Da
  • Monoisotopic mass333.251923 Da
  • ChemSpider ID9602471

More details:






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

2-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-N-(2-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}ethyl)ethanamin [German] [ACD/IUPAC Name]
2-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-N-(2-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}ethyl)ethanamine [ACD/IUPAC Name]
2-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-N-(2-{[diméthyl(2-méthyl-2-propanyl)silyl]oxy}éthyl)éthanamine [French] [ACD/IUPAC Name]
Ethanamine, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]- [ACD/Index Name]
169527-49-5 [RN]
Bis(2-((tert-butyldimethylsilyl)oxy)ethyl)amine
Ethanamine,2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-
MFCD29920224
O,O-Di(dimethyl-t-butylsilyl)-diethanolamine

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 334.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.7±3.0 kJ/mol
    Flash Point: 155.8±23.7 °C
    Index of Refraction: 1.435
    Molar Refractivity: 100.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 5.45
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 8.32
    ACD/KOC (pH 5.5): 26.88
    ACD/LogD (pH 7.4): 4.01
    ACD/BCF (pH 7.4): 361.35
    ACD/KOC (pH 7.4): 1166.58
    Polar Surface Area: 30 Å2
    Polarizability: 39.9±0.5 10-24cm3
    Surface Tension: 23.0±3.0 dyne/cm
    Molar Volume: 385.8±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) =  5.55
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  300.97  (Adapted Stein & Brown method)
        Melting Pt (deg C):  79.37  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  0.000563  (Modified Grain method)
        Subcooled liquid VP: 0.00185 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):  1.434
           log Kow used: 5.55 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  8748.5 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aliphatic Amines
           Silanes (alkoxy)
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   7.75E-006  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  1.724E-004 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  5.55  (KowWin est)
      Log Kaw used:  -3.499  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  9.049
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.3747
       Biowin2 (Non-Linear Model)     :   0.0169
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.0620  (months      )
       Biowin4 (Primary Survey Model) :   3.1027  (weeks       )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.0898
       Biowin6 (MITI Non-Linear Model):   0.0092
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model): -0.3468
     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):  0.247 Pa (0.00185 mm Hg)
      Log Koa (Koawin est  ): 9.049
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  1.22E-005 
           Octanol/air (Koa) model:  0.000275 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.000439 
           Mackay model           :  0.000972 
           Octanol/air (Koa) model:  0.0215 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant = 139.4211 E-12 cm3/molecule-sec
          Half-Life =     0.077 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     0.921 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.000706 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  1.865E+005
          Log Koc:  5.271 
    
     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 = 3.575 (BCF = 3760)
           log Kow used: 5.55 (estimated)
    
     Volatilization from Water:
        Henry LC:  7.75E-006 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River:      139.9  hours   (5.828 days)
        Half-Life from Model Lake :       1679  hours   (69.96 days)
    
     Removal In Wastewater Treatment:
        Total removal:              88.88  percent
        Total biodegradation:        0.75  percent
        Total sludge adsorption:    88.11  percent
        Total to Air:                0.02  percent
          (using 10000 hr Bio P,A,S)
    
     Level III Fugacity Model:
               Mass Amount    Half-Life    Emissions
                (percent)        (hr)       (kg/hr)
       Air       0.0301          1.84         1000       
       Water     5.08            1.44e+003    1000       
       Soil      47.1            2.88e+003    1000       
       Sediment  47.8            1.3e+004     0          
         Persistence Time: 2.94e+003 hr
    
    
    
    
                        

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