ChemSpider 2D Image | 2-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-N,N-dimethylacetamide | C10H23NO2Si

2-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-N,N-dimethylacetamide

  • Molecular FormulaC10H23NO2Si
  • Average mass217.381 Da
  • Monoisotopic mass217.149811 Da
  • ChemSpider ID9217357

More details:

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

2-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-N,N-dimethylacetamid [German] [ACD/IUPAC Name]
2-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-N,N-dimethylacetamide [ACD/IUPAC Name]
2-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-N,N-diméthylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-N,N-dimethyl- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 239.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 98.5±22.6 °C
Index of Refraction: 1.434
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.92
ACD/KOC (pH 5.5): 327.54
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.92
ACD/KOC (pH 7.4): 327.54
Polar Surface Area: 30 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 24.6±3.0 dyne/cm
Molar Volume: 240.1±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) =  1.89

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  257.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  56.44  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00924  (Modified Grain method)
    Subcooled liquid VP: 0.0181 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):  870.5
       log Kow used: 1.89 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.6576e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.96E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.036E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.89  (KowWin est)
  Log Kaw used:  -5.096  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.986
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6703
   Biowin2 (Non-Linear Model)     :   0.7089
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4524  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5861  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3120
   Biowin6 (MITI Non-Linear Model):   0.1301
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5970
 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):  2.41 Pa (0.0181 mm Hg)
  Log Koa (Koawin est  ): 6.986
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.24E-006 
       Octanol/air (Koa) model:  2.38E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.49E-005 
       Mackay model           :  9.94E-005 
       Octanol/air (Koa) model:  0.00019 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.1893 E-12 cm3/molecule-sec
      Half-Life =     0.505 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.057 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.22E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  624.1
      Log Koc:  2.795 

 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 = 0.752 (BCF = 5.655)
       log Kow used: 1.89 (estimated)

 Volatilization from Water:
    Henry LC:  1.96E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       4406  hours   (183.6 days)
    Half-Life from Model Lake : 4.819E+004  hours   (2008 days)

 Removal In Wastewater Treatment:
    Total removal:               2.17  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.06  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       0.509           12.1         1000       
   Water     31.3            900          1000       
   Soil      68.1            1.8e+003     1000       
   Sediment  0.107           8.1e+003     0          
     Persistence Time: 863 hr

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