ChemSpider 2D Image | Dimethyl(trimethylsilylmethyl)amine | C6H17NSi

Dimethyl(trimethylsilylmethyl)amine

  • Molecular FormulaC6H17NSi
  • Average mass131.291 Da
  • Monoisotopic mass131.113022 Da
  • ChemSpider ID123772

More details:

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

Dimethyl(trimethylsilylmethyl)amine
Methanamine, N,N-dimethyl-1-(trimethylsilyl)- [ACD/Index Name]
N,N-Dimethyl-1-(trimethylsilyl)methanamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-1-(trimethylsilyl)methanamine [ACD/IUPAC Name]
N,N-Diméthyl-1-(triméthylsilyl)méthanamine [French] [ACD/IUPAC Name]
(CH3)2NCH2Si(CH3)3
18182-40-6 [RN]
N,N-Dimethyl(trimethylsilyl)methanamine
N,N-Dimethylamino(trimethylsilyl)methane

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

NCIOpen2_005977 [DBID]
NSC93027 [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: 85.3±13.0 °C at 760 mmHg
Vapour Pressure: 69.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.6±3.0 kJ/mol
Flash Point: 5.4±19.8 °C
Index of Refraction: 1.410
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.03
Polar Surface Area: 3 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 18.9±3.0 dyne/cm
Molar Volume: 170.6±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) =  1.92

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  94.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -66.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  46.5  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.102e+004
       log Kow used: 1.92 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  635.93 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.10E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.822E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.92  (KowWin est)
  Log Kaw used:  -2.347  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.267
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4798
   Biowin2 (Non-Linear Model)     :   0.2538
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6542  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3703  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2882
   Biowin6 (MITI Non-Linear Model):   0.1711
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6106
 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):  5.92E+003 Pa (44.4 mm Hg)
  Log Koa (Koawin est  ): 4.267
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.07E-010 
       Octanol/air (Koa) model:  4.54E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.83E-008 
       Mackay model           :  4.05E-008 
       Octanol/air (Koa) model:  3.63E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  78.5332 E-12 cm3/molecule-sec
      Half-Life =     0.136 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.634 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.94E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  116.8
      Log Koc:  2.068 

 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 = 0.782 (BCF = 6.054)
       log Kow used: 1.92 (estimated)

 Volatilization from Water:
    Henry LC:  0.00011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      7.268  hours
    Half-Life from Model Lake :      175.4  hours   (7.307 days)

 Removal In Wastewater Treatment:
    Total removal:               7.38  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.99  percent
    Total to Air:                5.30  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.561           3.27         1000       
   Water     33.2            900          1000       
   Soil      66.1            1.8e+003     1000       
   Sediment  0.117           8.1e+003     0          
     Persistence Time: 479 hr

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