ChemSpider 2D Image | 1-(n-Decyl-N-trimethylsilylamino)-2-[2-(2-trimethylsilyloxy)ethoxy]ethane | C20H47NO2Si2

1-(n-Decyl-N-trimethylsilylamino)-2-[2-(2-trimethylsilyloxy)ethoxy]ethane

  • Molecular FormulaC20H47NO2Si2
  • Average mass389.764 Da
  • Monoisotopic mass389.314545 Da
  • ChemSpider ID537025

More details:

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

1-(n-Decyl-N-trimethylsilylamino)-2-[2-(2-trimethylsilyloxy)ethoxy]ethane
N-Decyl-1,1,1-trimethyl-N-(2-{2-[(trimethylsilyl)oxy]ethoxy}ethyl)silanamin [German] [ACD/IUPAC Name]
N-Decyl-1,1,1-trimethyl-N-(2-{2-[(trimethylsilyl)oxy]ethoxy}ethyl)silanamine [ACD/IUPAC Name]
N-Décyl-1,1,1-triméthyl-N-(2-{2-[(triméthylsilyl)oxy]éthoxy}éthyl)silanamine [French] [ACD/IUPAC Name]
Silanamine, N-decyl-1,1,1-trimethyl-N-[2-[2-[(trimethylsilyl)oxy]ethoxy]ethyl]- [ACD/Index Name]
n-Decyl(trimethyl)-N-(2-(2-[(trimethylsilyl)oxy]ethoxy)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: 395.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 192.8±22.3 °C
Index of Refraction: 1.443
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 538.83
ACD/KOC (pH 5.5): 418.57
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 2552.51
ACD/KOC (pH 7.4): 1982.83
Polar Surface Area: 22 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 25.5±3.0 dyne/cm
Molar Volume: 450.1±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) =  7.08

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  365.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  108.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.73E-006  (Modified Grain method)
    Subcooled liquid VP: 5.71E-005 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):  0.003188
       log Kow used: 7.08 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.054752 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 :   4.85E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.404E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.08  (KowWin est)
  Log Kaw used:  -3.703  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.783
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3231
   Biowin2 (Non-Linear Model)     :   0.0161
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6275  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5447  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1993
   Biowin6 (MITI Non-Linear Model):   0.0425
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0420
 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):  0.00761 Pa (5.71E-005 mm Hg)
  Log Koa (Koawin est  ): 10.783
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000394 
       Octanol/air (Koa) model:  0.0149 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.014 
       Mackay model           :  0.0306 
       Octanol/air (Koa) model:  0.544 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  74.2142 E-12 cm3/molecule-sec
      Half-Life =     0.144 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.729 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0223 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.059E+005
      Log Koc:  5.314 

 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 = 3.201 (BCF = 1590)
       log Kow used: 7.08 (estimated)

 Volatilization from Water:
    Henry LC:  4.85E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      240.3  hours   (10.01 days)
    Half-Life from Model Lake :       2787  hours   (116.1 days)

 Removal In Wastewater Treatment:
    Total removal:              93.88  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.10  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       0.052           3.46         1000       
   Water     2.11            900          1000       
   Soil      28.7            1.8e+003     1000       
   Sediment  69.1            8.1e+003     0          
     Persistence Time: 3.03e+003 hr

Click to predict properties on the Chemicalize site


Advertisement