ChemSpider 2D Image | N-Allyl-1,1,1-trimethylsilanamine | C6H15NSi

N-Allyl-1,1,1-trimethylsilanamine

  • Molecular FormulaC6H15NSi
  • Average mass129.275 Da
  • Monoisotopic mass129.097382 Da
  • ChemSpider ID2015608

More details:

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

N-Allyl-1,1,1-trimethylsilanamin [German] [ACD/IUPAC Name]
N-Allyl-1,1,1-trimethylsilanamine [ACD/IUPAC Name]
N-Allyl-1,1,1-triméthylsilanamine [French] [ACD/IUPAC Name]
Silanamine, 1,1,1-trimethyl-N-2-propen-1-yl- [ACD/Index Name]
(N-Trimethylsilylallylamine)
(prop-2-en-1-yl)(trimethylsilyl)amine
10519-97-8 [RN]
446254-72-4 [RN]
95%
allylamino trimethylsilane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

463523_ALDRICH [DBID]

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

    Density: 0.8±0.1 g/cm3
    Boiling Point: 100.5±19.0 °C at 760 mmHg
    Vapour Pressure: 36.6±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 34.0±3.0 kJ/mol
    Flash Point: 14.6±21.5 °C
    Index of Refraction: 1.415
    Molar Refractivity: 41.9±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): -0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 12 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 18.5±3.0 dyne/cm
    Molar Volume: 167.2±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) =  2.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  114.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -51.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  19.9  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1585
       log Kow used: 2.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  584.97 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.99E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.136E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.07  (KowWin est)
  Log Kaw used:  -2.690  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.760
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6860
   Biowin2 (Non-Linear Model)     :   0.7637
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9135  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6612  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3968
   Biowin6 (MITI Non-Linear Model):   0.3468
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4028
 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):  2.49E+003 Pa (18.7 mm Hg)
  Log Koa (Koawin est  ): 4.760
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.2E-009 
       Octanol/air (Koa) model:  1.41E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.35E-008 
       Mackay model           :  9.63E-008 
       Octanol/air (Koa) model:  1.13E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.4350 E-12 cm3/molecule-sec
      Half-Life =     0.302 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.622 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 6.99E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  246.9
      Log Koc:  2.393 

 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 = 0.893 (BCF = 7.808)
       log Kow used: 2.07 (estimated)

 Volatilization from Water:
    Henry LC:  4.99E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       14.5  hours
    Half-Life from Model Lake :      253.5  hours   (10.56 days)

 Removal In Wastewater Treatment:
    Total removal:               4.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.17  percent
    Total to Air:                2.60  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.84            5.5          1000       
   Water     30.4            360          1000       
   Soil      68.6            720          1000       
   Sediment  0.116           3.24e+003    0          
     Persistence Time: 372 hr

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