ChemSpider 2D Image | aminopropylsilane | C3H11NSi

aminopropylsilane

  • Molecular FormulaC3H11NSi
  • Average mass89.212 Da
  • Monoisotopic mass89.066078 Da
  • ChemSpider ID167847

More details:

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

1-Propanamine, 3-silyl- [ACD/Index Name]
3-AMINOPROPYLSILANE
3-Silyl-1-propanamin [German] [ACD/IUPAC Name]
3-Silyl-1-propanamine [ACD/IUPAC Name]
3-Silyl-1-propanamine [French] [ACD/IUPAC Name]
6382-82-7 [RN]
aminopropylsilane
(3-AMINOPROPYL)SILANE
aminopropyl-silane
silylpropyl amine

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

5L24G1759Y [DBID]
UNII:5L24G1759Y [DBID]

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

Density:
Boiling Point: 100.4±23.0 °C at 760 mmHg
Vapour Pressure: 36.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.0±3.0 kJ/mol
Flash Point: 14.5±22.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 26 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -36.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -28.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.93E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5231
       log Kow used: 1.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  42.078 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.705E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1533
   Biowin2 (Non-Linear Model)     :   0.0314
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3657  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2587  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6496
   Biowin6 (MITI Non-Linear Model):   0.7590
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1666
 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):  6.84E+005 Pa (5.13E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.39E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.58E-010 
       Mackay model           :  3.51E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.55E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  60.68
      Log Koc:  1.783 

 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 = 0.543 (BCF = 3.49)
       log Kow used: 1.61 (estimated)

 Volatilization from Water:
    Henry LC:  0.0171 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:     0.9962  hours   (59.77 min)
    Half-Life from Model Lake :      90.07  hours   (3.753 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.10  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.37  percent
    Total to Air:               97.70  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       52              1e+005       1000       
   Water     47.2            900          1000       
   Soil      0.666           1.8e+003     1000       
   Sediment  0.128           8.1e+003     0          
     Persistence Time: 166 hr

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