ChemSpider 2D Image | Trimethylsilyl trimethylsilyl[(trimethylsilyl)oxy]carbamate | C10H27NO3Si3

Trimethylsilyl trimethylsilyl[(trimethylsilyl)oxy]carbamate

  • Molecular FormulaC10H27NO3Si3
  • Average mass293.583 Da
  • Monoisotopic mass293.129883 Da
  • ChemSpider ID542237

More details:






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

(Triméthylsilyl)[(triméthylsilyl)oxy]carbamate de triméthylsilyle [French] [ACD/IUPAC Name]
Carbamic acid, N-(trimethylsilyl)-N-[(trimethylsilyl)oxy]-, trimethylsilyl ester [ACD/Index Name]
Trimethylsilyl (trimethylsilyl)[(trimethylsilyl)oxy]carbamate [ACD/IUPAC Name]
Trimethylsilyl trimethylsilyl[(trimethylsilyl)oxy]carbamate
Trimethylsilyl-(trimethylsilyl)[(trimethylsilyl)oxy]carbamat [German] [ACD/IUPAC Name]
Carbamic acid,(trimethylsilyl)[(trimethylsilyl)oxy] trimethylsilyl ester

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

Density: 0.9±0.1 g/cm3
Boiling Point: 249.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.7±3.0 kJ/mol
Flash Point: 104.6±22.6 °C
Index of Refraction: 1.428
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1112.38
ACD/KOC (pH 5.5): 5273.60
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1112.38
ACD/KOC (pH 7.4): 5273.60
Polar Surface Area: 39 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 20.6±3.0 dyne/cm
Molar Volume: 317.9±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) =  5.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  227.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  9.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0869  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2462
       log Kow used: 5.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15.872 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.49E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.364E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.54  (KowWin est)
  Log Kaw used:  -2.736  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.276
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6078
   Biowin2 (Non-Linear Model)     :   0.2386
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5504  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4242  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1576
   Biowin6 (MITI Non-Linear Model):   0.0031
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1199
 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):  10.9 Pa (0.0818 mm Hg)
  Log Koa (Koawin est  ): 8.276
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.75E-007 
       Octanol/air (Koa) model:  4.63E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.94E-006 
       Mackay model           :  2.2E-005 
       Octanol/air (Koa) model:  0.00369 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.0464 E-12 cm3/molecule-sec
      Half-Life =     2.643 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    31.720 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.6E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2749
      Log Koc:  3.439 

 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 = 3.569 (BCF = 3710)
       log Kow used: 5.54 (estimated)

 Volatilization from Water:
    Henry LC:  4.49E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      24.09  hours   (1.004 days)
    Half-Life from Model Lake :      406.5  hours   (16.94 days)

 Removal In Wastewater Treatment:
    Total removal:              88.80  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    87.91  percent
    Total to Air:                0.14  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.941           63.4         1000       
   Water     6.58            900          1000       
   Soil      47.1            1.8e+003     1000       
   Sediment  45.3            8.1e+003     0          
     Persistence Time: 1.84e+003 hr




                    

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