ChemSpider 2D Image | TMSDMA | C5H15NSi

TMSDMA

  • Molecular FormulaC5H15NSi
  • Average mass117.265 Da
  • Monoisotopic mass117.097374 Da
  • ChemSpider ID67521

More details:






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

(Dimethylamino)trimethylsilane
18135-05-2 [RN]
242-020-4 [EINECS]
MFCD00008297 [MDL number]
N-(Trimethylsilyl)dimethylamine
N,N,1,1,1-Pentamethylsilanamin [German] [ACD/IUPAC Name]
N,N,1,1,1-Pentamethylsilanamine [ACD/IUPAC Name]
N,N,1,1,1-Pentaméthylsilanamine [French] [ACD/IUPAC Name]
N,N-Dimethyltrimethylsilylamine
Silanamine, N,N,1,1,1-pentamethyl- [ACD/Index Name]
More...

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

226289_ALDRICH [DBID]
41716_FLUKA [DBID]
41720_FLUKA [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 89.3±8.0 °C at 760 mmHg
Vapour Pressure: 66.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 31.6±3.0 kJ/mol
Flash Point: -19.4±0.0 °C
Index of Refraction: 1.404
Molar Refractivity: 37.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 3 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 17.7±3.0 dyne/cm
Molar Volume: 154.1±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) =  1.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  70.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -79.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  67.9  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  86 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6126
       log Kow used: 1.43 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1956 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.35E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.710E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.43  (KowWin est)
  Log Kaw used:  -2.467  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.897
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6917
   Biowin2 (Non-Linear Model)     :   0.7931
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9400  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6785  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3653
   Biowin6 (MITI Non-Linear Model):   0.3181
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4382
 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):  8.71E+003 Pa (65.3 mm Hg)
  Log Koa (Koawin est  ): 3.897
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.45E-010 
       Octanol/air (Koa) model:  1.94E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.24E-008 
       Mackay model           :  2.76E-008 
       Octanol/air (Koa) model:  1.55E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.9784 E-12 cm3/molecule-sec
      Half-Life =     3.591 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    43.094 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  87.14
      Log Koc:  1.940 

 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 = 0.404 (BCF = 2.534)
       log Kow used: 1.43 (estimated)

 Volatilization from Water:
    Henry LC:  8.35E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      8.698  hours
    Half-Life from Model Lake :      185.7  hours   (7.737 days)

 Removal In Wastewater Treatment:
    Total removal:               6.05  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  percent
    Total to Air:                4.16  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.21            86.2         1000       
   Water     38.2            360          1000       
   Soil      52.5            720          1000       
   Sediment  0.0877          3.24e+003    0          
     Persistence Time: 304 hr




                    

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