ChemSpider 2D Image | MFCD06798089 | C9H21NSi

MFCD06798089

  • Molecular FormulaC9H21NSi
  • Average mass171.355 Da
  • Monoisotopic mass171.144333 Da
  • ChemSpider ID21169694

More details:

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

115579-47-0 [RN]
1-Allyl-N,N-diethyl-1,1-dimethylsilanamin [German] [ACD/IUPAC Name]
1-Allyl-N,N-diethyl-1,1-dimethylsilanamine [ACD/IUPAC Name]
1-Allyl-N,N-diéthyl-1,1-diméthylsilanamine [French] [ACD/IUPAC Name]
Allyl(diethylamino)dimethylsilane
MFCD06798089
Silanamine, N,N-diethyl-1,1-dimethyl-1-(2-propen-1-yl)- [ACD/Index Name]
N,N-Diethyl-1,1-dimethyl-1-(prop-2-en-1-yl)silanamine
Silanamine,N,N-diethyl-1,1-dimethyl-1-(2-propen-1-yl)-

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

641820_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: 170.6±19.0 °C at 760 mmHg
Vapour Pressure: 1.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.0±3.0 kJ/mol
Flash Point: 57.0±21.5 °C
Index of Refraction: 1.433
Molar Refractivity: 55.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.40
Polar Surface Area: 3 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 21.6±3.0 dyne/cm
Molar Volume: 215.2±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) =  3.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  161.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -31.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  99.31
       log Kow used: 3.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  21.029 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.93E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.222E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.26  (KowWin est)
  Log Kaw used:  -2.103  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.363
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6660
   Biowin2 (Non-Linear Model)     :   0.6400
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8205  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6005  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3708
   Biowin6 (MITI Non-Linear Model):   0.2750
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3752
 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):  279 Pa (2.09 mm Hg)
  Log Koa (Koawin est  ): 5.363
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.08E-008 
       Octanol/air (Koa) model:  5.66E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.89E-007 
       Mackay model           :  8.61E-007 
       Octanol/air (Koa) model:  4.53E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  45.3336 E-12 cm3/molecule-sec
      Half-Life =     0.236 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.831 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): 6.25E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1192
      Log Koc:  3.076 

 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 = 1.811 (BCF = 64.78)
       log Kow used: 3.26 (estimated)

 Volatilization from Water:
    Henry LC:  0.000193 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      5.307  hours
    Half-Life from Model Lake :      167.7  hours   (6.986 days)

 Removal In Wastewater Treatment:
    Total removal:              16.17  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     8.10  percent
    Total to Air:                7.93  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.652           4.54         1000       
   Water     20.2            360          1000       
   Soil      78.6            720          1000       
   Sediment  0.556           3.24e+003    0          
     Persistence Time: 415 hr

Click to predict properties on the Chemicalize site


Advertisement