ChemSpider 2D Image | 4-Aminobutyltriethoxysilane | C10H25NO3Si

4-Aminobutyltriethoxysilane

  • Molecular FormulaC10H25NO3Si
  • Average mass235.396 Da
  • Monoisotopic mass235.160370 Da
  • ChemSpider ID68953

More details:

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

1-Butanamine, 4-(triethoxysilyl)- [ACD/Index Name]
3069-30-5 [RN]
4-(Triethoxysilyl)-1-butanamin [German] [ACD/IUPAC Name]
4-(Triethoxysilyl)-1-butanamine [ACD/IUPAC Name]
4-(Triéthoxysilyl)-1-butanamine [French] [ACD/IUPAC Name]
4-(triethoxysilyl)butan-1-amine
4-Aminobutyltriethoxysilane
(4-Aminobutyl)triethoxysilane
4-(Triethoxysilyl)butan-1-amin
4-(Triethoxysilyl)butylamine
More...

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

16M550E30K [DBID]
BRN 1929223 [DBID]
UNII:16M550E30K [DBID]
UNII-16M550E30K [DBID]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 250.1±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: 105.1±22.6 °C
    Index of Refraction: 1.436
    Molar Refractivity: 65.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 1.68
    ACD/LogD (pH 5.5): -2.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.84
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 54 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 27.5±3.0 dyne/cm
    Molar Volume: 252.1±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) =  0.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  272.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  59.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00387  (Modified Grain method)
    Subcooled liquid VP: 0.0081 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):  5.963e+004
       log Kow used: 0.80 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.88E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.010E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.80  (KowWin est)
  Log Kaw used:  -5.700  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.500
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7893
   Biowin2 (Non-Linear Model)     :   0.6848
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7034  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5514  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3923
   Biowin6 (MITI Non-Linear Model):   0.1839
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9566
 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):  1.08 Pa (0.0081 mm Hg)
  Log Koa (Koawin est  ): 6.500
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.78E-006 
       Octanol/air (Koa) model:  7.76E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0001 
       Mackay model           :  0.000222 
       Octanol/air (Koa) model:  6.21E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  54.2940 E-12 cm3/molecule-sec
      Half-Life =     0.197 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.364 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000161 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.24E+004
      Log Koc:  4.350 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.80 (estimated)

 Volatilization from Water:
    Henry LC:  4.88E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.841E+004  hours   (767 days)
    Half-Life from Model Lake :  2.01E+005  hours   (8373 days)

 Removal In Wastewater Treatment:
    Total removal:               1.87  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.78  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       0.245           4.73         1000       
   Water     47.9            900          1000       
   Soil      51.8            1.8e+003     1000       
   Sediment  0.0977          8.1e+003     0          
     Persistence Time: 699 hr

    Click to predict properties on the Chemicalize site


    Advertisement