ChemSpider 2D Image | N-Methoxy-N-methyl-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}acetamide | C20H27NO3Si

N-Methoxy-N-methyl-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}acetamide

  • Molecular FormulaC20H27NO3Si
  • Average mass357.519 Da
  • Monoisotopic mass357.176025 Da
  • ChemSpider ID8219465

More details:

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

Acetamide, 2-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-N-methoxy-N-methyl- [ACD/Index Name]
N-Methoxy-N-methyl-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}acetamid [German] [ACD/IUPAC Name]
N-Methoxy-N-methyl-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}acetamide [ACD/IUPAC Name]
N-Méthoxy-N-méthyl-2-{[(2-méthyl-2-propanyl)(diphényl)silyl]oxy}acétamide [French] [ACD/IUPAC Name]
[154698-93-8] [RN]
154698-93-8 [RN]
2-((tert-Butyldiphenylsilyl)oxy)-N-methoxy-N-methylacetamide
2-[(TERT-BUTYLDIPHENYLSILYL)OXY]-N-METHOXY-N-METHYLACETAMIDE
2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylacetamide
DS-4979
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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: 1.1±0.1 g/cm3
    Boiling Point: 395.0±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 192.7±29.6 °C
    Index of Refraction: 1.542
    Molar Refractivity: 104.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.96
    ACD/LogD (pH 5.5): 5.14
    ACD/BCF (pH 5.5): 4730.06
    ACD/KOC (pH 5.5): 14861.48
    ACD/LogD (pH 7.4): 5.14
    ACD/BCF (pH 7.4): 4730.06
    ACD/KOC (pH 7.4): 14861.48
    Polar Surface Area: 39 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 38.1±5.0 dyne/cm
    Molar Volume: 332.6±5.0 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) =  4.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  431.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  163.40  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.34E-008  (Modified Grain method)
    Subcooled liquid VP: 1.41E-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):  0.7188
       log Kow used: 4.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  32.827 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.18E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.495E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.55  (KowWin est)
  Log Kaw used:  -8.050  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.600
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6496
   Biowin2 (Non-Linear Model)     :   0.4518
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2410  (months      )
   Biowin4 (Primary Survey Model) :   3.1883  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1502
   Biowin6 (MITI Non-Linear Model):   0.0034
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3880
 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):  0.000188 Pa (1.41E-006 mm Hg)
  Log Koa (Koawin est  ): 12.600
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.016 
       Octanol/air (Koa) model:  0.977 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.366 
       Mackay model           :  0.561 
       Octanol/air (Koa) model:  0.987 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.2567 E-12 cm3/molecule-sec
      Half-Life =     0.441 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.291 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.463 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9.459E+005
      Log Koc:  5.976 

 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 = 2.807 (BCF = 641.6)
       log Kow used: 4.55 (estimated)

 Volatilization from Water:
    Henry LC:  2.18E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.078E+006  hours   (2.116E+005 days)
    Half-Life from Model Lake :  5.54E+007  hours   (2.308E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              58.63  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    58.09  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       0.00163         10.6         1000       
   Water     7.59            1.44e+003    1000       
   Soil      84              2.88e+003    1000       
   Sediment  8.41            1.3e+004     0          
     Persistence Time: 3.11e+003 hr

    Click to predict properties on the Chemicalize site


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