ChemSpider 2D Image | 1-Allyl-1,1-dimethyl-N,N-diphenylsilanamine | C17H21NSi

1-Allyl-1,1-dimethyl-N,N-diphenylsilanamine

  • Molecular FormulaC17H21NSi
  • Average mass267.441 Da
  • Monoisotopic mass267.144318 Da
  • ChemSpider ID115740

More details:

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

1-Allyl-1,1-dimethyl-N,N-diphenylsilanamin [German] [ACD/IUPAC Name]
1-Allyl-1,1-dimethyl-N,N-diphenylsilanamine [ACD/IUPAC Name]
1-Allyl-1,1-diméthyl-N,N-diphénylsilanamine [French] [ACD/IUPAC Name]
Benzenamine, N-(dimethyl-2-propen-1-ylsilyl)-N-phenyl- [ACD/Index Name]
Silanamine, 1,1-dimethyl-N,N-diphenyl-1-(2-propenyl)-
126235-53-8 [RN]
Admsdpa
allyldimethylsilyl-N,N-diphenylamine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 328.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.7±23.2 °C
Index of Refraction: 1.558
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5061.97
ACD/KOC (pH 5.5): 15600.40
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5062.33
ACD/KOC (pH 7.4): 15601.50
Polar Surface Area: 3 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 270.9±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) =  6.08

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  338.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  91.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.55E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000245 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):  0.1215
       log Kow used: 6.08 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0033782 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.46E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.607E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.08  (KowWin est)
  Log Kaw used:  -2.578  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.658
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8764
   Biowin2 (Non-Linear Model)     :   0.9432
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6522  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4717  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0675
   Biowin6 (MITI Non-Linear Model):   0.0311
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0356
 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):  0.0327 Pa (0.000245 mm Hg)
  Log Koa (Koawin est  ): 8.658
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.18E-005 
       Octanol/air (Koa) model:  0.000112 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00331 
       Mackay model           :  0.00729 
       Octanol/air (Koa) model:  0.00886 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  52.4596 E-12 cm3/molecule-sec
      Half-Life =     0.204 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.447 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): 0.0053 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.142E+004
      Log Koc:  4.711 

 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 = 3.981 (BCF = 9575)
       log Kow used: 6.08 (estimated)

 Volatilization from Water:
    Henry LC:  6.46E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      16.49  hours
    Half-Life from Model Lake :        317  hours   (13.21 days)

 Removal In Wastewater Treatment:
    Total removal:              92.48  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.65  percent
    Total to Air:                0.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.082           4.03         1000       
   Water     3.68            900          1000       
   Soil      36.1            1.8e+003     1000       
   Sediment  60.1            8.1e+003     0          
     Persistence Time: 2.4e+003 hr

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