ChemSpider 2D Image | 3-AMINOPROPYLTRIMETHYLSILANE | C6H17NSi

3-AMINOPROPYLTRIMETHYLSILANE

  • Molecular FormulaC6H17NSi
  • Average mass131.291 Da
  • Monoisotopic mass131.113022 Da
  • ChemSpider ID78931

More details:

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

18187-14-9 [RN]
1-Propanamine, 3-(trimethylsilyl)- [ACD/Index Name]
3-(Trimethylsilyl)-1-propanamin [German] [ACD/IUPAC Name]
3-(Trimethylsilyl)-1-propanamine [ACD/IUPAC Name]
3-(Triméthylsilyl)-1-propanamine [French] [ACD/IUPAC Name]
3-(Trimethylsilyl)propan-1-amine
3-AMINOPROPYLTRIMETHYLSILANE
(3-Aminopropyl)trimethylsilane
1-Propanamine, 3-(trimethylsilyl)- (9CI)
1-Propanamine,3-(trimethylsilyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 0969198 [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: 147.4±13.0 °C at 760 mmHg
    Vapour Pressure: 4.4±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 38.4±3.0 kJ/mol
    Flash Point: 42.9±19.8 °C
    Index of Refraction: 1.418
    Molar Refractivity: 42.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.95
    ACD/LogD (pH 5.5): -0.71
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 26 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 21.4±3.0 dyne/cm
    Molar Volume: 167.0±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) =  2.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  134.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -29.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.23  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.154e+004
       log Kow used: 2.23 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1470 mg/L (25 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  236.16 mg/L
    Wat Sol (Exper. database match) =  1470.00
       Exper. Ref:  BEILSTEIN

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.01E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.232E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.23  (KowWin est)
  Log Kaw used:  -2.785  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.015
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8389
   Biowin2 (Non-Linear Model)     :   0.9050
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9335  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7016  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5043
   Biowin6 (MITI Non-Linear Model):   0.4496
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8526
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.01E+003 Pa (7.6 mm Hg)
  Log Koa (Koawin est  ): 5.015
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.96E-009 
       Octanol/air (Koa) model:  2.54E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.07E-007 
       Mackay model           :  2.37E-007 
       Octanol/air (Koa) model:  2.03E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  34.8096 E-12 cm3/molecule-sec
      Half-Life =     0.307 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.687 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.72E-007 (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 = 1.017 (BCF = 10.4)
       log Kow used: 2.23 (estimated)

 Volatilization from Water:
    Henry LC:  4.01E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       17.9  hours
    Half-Life from Model Lake :      291.3  hours   (12.14 days)

 Removal In Wastewater Treatment:
    Total removal:               4.59  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.39  percent
    Total to Air:                2.11  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.975           7.38         1000       
   Water     28.5            360          1000       
   Soil      70.4            720          1000       
   Sediment  0.133           3.24e+003    0          
     Persistence Time: 396 hr

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