Found 1 result

Search term: MCLXOMWIZZCOCA (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-[Methoxy(dimethyl)silyl]-1-propanamine | C6H17NOSi

3-[Methoxy(dimethyl)silyl]-1-propanamine

  • Molecular FormulaC6H17NOSi
  • Average mass147.291 Da
  • Monoisotopic mass147.107941 Da
  • ChemSpider ID2015525

More details:






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

(3-Aminopropyl)dimethylmethoxysilane
1-Propanamine, 3-(methoxydimethylsilyl)- [ACD/Index Name]
3-(Methoxydimethylsilyl)-1-propanamine
3-[Methoxy(dimethyl)silyl]-1-propanamin [German] [ACD/IUPAC Name]
3-[Methoxy(dimethyl)silyl]-1-propanamine [ACD/IUPAC Name]
3-[Méthoxy(diméthyl)silyl]-1-propanamine [French] [ACD/IUPAC Name]
31024-26-7 [RN]
Z3-SI-1&1&O1 [WLN]
(3-AMINOPROPYL)(METHOXY)DIMETHYLSILANE
[31024-26-7]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 143.1±23.0 °C at 760 mmHg
Vapour Pressure: 5.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.0±3.0 kJ/mol
Flash Point: 40.3±22.6 °C
Index of Refraction: 1.420
Molar Refractivity: 43.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 35 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 22.8±3.0 dyne/cm
Molar Volume: 173.4±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) =  1.35

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  157.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -12.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.84  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.554e+004
       log Kow used: 1.35 (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 :   2.93E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.910E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.35  (KowWin est)
  Log Kaw used:  -3.922  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.272
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8313
   Biowin2 (Non-Linear Model)     :   0.8836
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8981  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6785  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4567
   Biowin6 (MITI Non-Linear Model):   0.3398
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8526
 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):  345 Pa (2.59 mm Hg)
  Log Koa (Koawin est  ): 5.272
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.69E-009 
       Octanol/air (Koa) model:  4.59E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.14E-007 
       Mackay model           :  6.95E-007 
       Octanol/air (Koa) model:  3.67E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.4896 E-12 cm3/molecule-sec
      Half-Life =     0.301 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.617 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.04E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  490.6
      Log Koc:  2.691 

 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 = 0.342 (BCF = 2.196)
       log Kow used: 1.35 (estimated)

 Volatilization from Water:
    Henry LC:  2.93E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      243.8  hours   (10.16 days)
    Half-Life from Model Lake :       2761  hours   (115 days)

 Removal In Wastewater Treatment:
    Total removal:               2.10  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.84  percent
    Total to Air:                0.17  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.92            7.23         1000       
   Water     40.4            360          1000       
   Soil      58.6            720          1000       
   Sediment  0.0895          3.24e+003    0          
     Persistence Time: 368 hr




                    

Click to predict properties on the Chemicalize site






Advertisement