ChemSpider 2D Image | 1,1,1-Trimethyl-N,N-bis{2-[(trimethylsilyl)oxy]ethyl}silanamine | C13H35NO2Si3

1,1,1-Trimethyl-N,N-bis{2-[(trimethylsilyl)oxy]ethyl}silanamine

  • Molecular FormulaC13H35NO2Si3
  • Average mass321.679 Da
  • Monoisotopic mass321.197571 Da
  • ChemSpider ID532547

More details:

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

1,1,1-Trimethyl-N,N-bis{2-[(trimethylsilyl)oxy]ethyl}silanamin [German] [ACD/IUPAC Name]
1,1,1-Trimethyl-N,N-bis{2-[(trimethylsilyl)oxy]ethyl}silanamine [ACD/IUPAC Name]
1,1,1-Triméthyl-N,N-bis{2-[(triméthylsilyl)oxy]éthyl}silanamine [French] [ACD/IUPAC Name]
Silanamine, 1,1,1-trimethyl-N,N-bis[2-[(trimethylsilyl)oxy]ethyl]- [ACD/Index Name]
N,N-bis [Trimethylsiloxyethyl], trimethylsilanamine
Trimethyl-N,N-bis(2-[(trimethylsilyl)oxy]ethyl)silanamine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 292.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 130.4±23.2 °C
Index of Refraction: 1.430
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 7.36
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 15.30
Polar Surface Area: 22 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 20.9±3.0 dyne/cm
Molar Volume: 370.3±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) =  4.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  259.68  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.016  (Modified Grain method)
    Subcooled liquid VP: 0.0162 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):  1.496
       log Kow used: 4.43 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  700.89 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.11E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.527E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.43  (KowWin est)
  Log Kaw used:  -3.537  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.967
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5944
   Biowin2 (Non-Linear Model)     :   0.1738
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4883  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3836  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0435
   Biowin6 (MITI Non-Linear Model):   0.0076
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2239
 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):  2.16 Pa (0.0162 mm Hg)
  Log Koa (Koawin est  ): 7.967
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.39E-006 
       Octanol/air (Koa) model:  2.28E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.02E-005 
       Mackay model           :  0.000111 
       Octanol/air (Koa) model:  0.00182 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  76.1654 E-12 cm3/molecule-sec
      Half-Life =     0.140 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.685 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.06E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.235E+004
      Log Koc:  4.795 

 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 = 2.714 (BCF = 517.8)
       log Kow used: 4.43 (estimated)

 Volatilization from Water:
    Henry LC:  7.11E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      149.5  hours   (6.23 days)
    Half-Life from Model Lake :       1782  hours   (74.23 days)

 Removal In Wastewater Treatment:
    Total removal:              52.42  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    51.75  percent
    Total to Air:                0.18  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.138           3.37         1000       
   Water     15.2            900          1000       
   Soil      74.9            1.8e+003     1000       
   Sediment  9.73            8.1e+003     0          
     Persistence Time: 1.15e+003 hr

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