ChemSpider 2D Image | trimethylsilyldiazomethane | C4H10N2Si

trimethylsilyldiazomethane

  • Molecular FormulaC4H10N2Si
  • Average mass114.221 Da
  • Monoisotopic mass114.061325 Da
  • ChemSpider ID146699

More details:






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

(Diazomethyl)(trimethyl)silan [German] [ACD/IUPAC Name]
(Diazomethyl)(trimethyl)silane [ACD/IUPAC Name]
(Diazométhyl)(triméthyl)silane [French] [ACD/IUPAC Name]
(diazomethyl)trimethylsilane
(Trimethylsilyl)diazomethane
18107-18-1 [RN]
Diazo((trimethylsilyl))methane
Diazomethyltrimethyl Silane
Silane, (diazomethyl)trimethyl- [ACD/Index Name]
TMSCHN2
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

362832_ALDRICH [DBID]
527254_ALDRICH [DBID]
92738_FLUKA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      45-62-11-26-38-48/20-51/53 Alfa Aesar H26744
      4-9-16-20-23-26-33-36/37/39-45-57-60 Alfa Aesar H26744
      53-4-9-16-20-23-28-33-36/37/39-45-57-60 Alfa Aesar H26744
      6.1 Alfa Aesar H26744
      62-11-23-36/38-48/20-51/53-65 Alfa Aesar H26744
      Danger Alfa Aesar H26744
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar H26744
      DANGER: FLAMMABLE, POISON, irritates skin and eyes. Alfa Aesar H26744
      H225-H330-H350-H304-H361f-H373-H315-H336-H411 Alfa Aesar H26744
      P210-P301+P310-P303+P361+P353-P304+P340-P320-P405-P501a Alfa Aesar H26744

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.82
ACD/KOC (pH 5.5): 305.72
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.82
ACD/KOC (pH 7.4): 305.72
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -3.81

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  349.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  130.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.19E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000136 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):  1e+006
       log Kow used: -3.81 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14.735 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.83E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.804E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -3.81  (KowWin est)
  Log Kaw used:  -6.705  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.895
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6927
   Biowin2 (Non-Linear Model)     :   0.7978
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9445  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6815  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3106
   Biowin6 (MITI Non-Linear Model):   0.3572
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0062
 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):  0.0181 Pa (0.000136 mm Hg)
  Log Koa (Koawin est  ): 2.895
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000165 
       Octanol/air (Koa) model:  1.93E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00594 
       Mackay model           :  0.0131 
       Octanol/air (Koa) model:  1.54E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.5828 E-12 cm3/molecule-sec
      Half-Life =     4.141 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    49.695 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0095 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  16.72
      Log Koc:  1.223 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -3.81 (estimated)

 Volatilization from Water:
    Henry LC:  4.83E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.301E+005  hours   (5422 days)
    Half-Life from Model Lake :  1.42E+006  hours   (5.915E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.113           99.4         1000       
   Water     39.2            360          1000       
   Soil      60.7            720          1000       
   Sediment  0.0716          3.24e+003    0          
     Persistence Time: 572 hr




                    

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