ChemSpider 2D Image | 1-[Dimethyl(phenyl)silyl]-N,N-dimethylmethanamine | C11H19NSi

1-[Dimethyl(phenyl)silyl]-N,N-dimethylmethanamine

  • Molecular FormulaC11H19NSi
  • Average mass193.361 Da
  • Monoisotopic mass193.128677 Da
  • ChemSpider ID10416484

More details:

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

1-[Dimethyl(phenyl)silyl]-N,N-dimethylmethanamin [German] [ACD/IUPAC Name]
1-[Dimethyl(phenyl)silyl]-N,N-dimethylmethanamine [ACD/IUPAC Name]
1-[Diméthyl(phényl)silyl]-N,N-diméthylméthanamine [French] [ACD/IUPAC Name]
Methanamine, 1-(dimethylphenylsilyl)-N,N-dimethyl- [ACD/Index Name]
DIMETHYL(PHENYLDIMETHYLSILYLMETHYL)AMINE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 234.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.1±3.0 kJ/mol
Flash Point: 95.6±22.6 °C
Index of Refraction: 1.495
Molar Refractivity: 62.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.32
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.76
Polar Surface Area: 3 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 27.3±5.0 dyne/cm
Molar Volume: 214.5±5.0 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) =  3.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  228.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  13.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0838  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  474
       log Kow used: 3.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2874.4 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.75E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.498E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.52  (KowWin est)
  Log Kaw used:  -3.559  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.079
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5783
   Biowin2 (Non-Linear Model)     :   0.4599
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5391  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2856  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1442
   Biowin6 (MITI Non-Linear Model):   0.0580
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7900
 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):  10.5 Pa (0.0789 mm Hg)
  Log Koa (Koawin est  ): 7.079
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.85E-007 
       Octanol/air (Koa) model:  2.94E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.03E-005 
       Mackay model           :  2.28E-005 
       Octanol/air (Koa) model:  0.000235 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  80.3335 E-12 cm3/molecule-sec
      Half-Life =     0.133 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.598 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.66E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2836
      Log Koc:  3.453 

 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 = 2.011 (BCF = 102.6)
       log Kow used: 3.52 (estimated)

 Volatilization from Water:
    Henry LC:  6.75E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        122  hours   (5.085 days)
    Half-Life from Model Lake :       1448  hours   (60.33 days)

 Removal In Wastewater Treatment:
    Total removal:              13.80  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    13.28  percent
    Total to Air:                0.33  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.146           3.19         1000       
   Water     17.7            900          1000       
   Soil      80.9            1.8e+003     1000       
   Sediment  1.34            8.1e+003     0          
     Persistence Time: 1.05e+003 hr

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