ChemSpider 2D Image | Methyltrichlorosilane | CH3Cl3Si

Methyltrichlorosilane

  • Molecular FormulaCH3Cl3Si
  • Average mass149.479 Da
  • Monoisotopic mass147.906952 Da
  • ChemSpider ID6159

More details:






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

200-902-6 [EINECS]
4-04-00-04212 [Beilstein]
75-79-6 [RN]
Methylsilicochloroform
Methylsilyl trichloride
methyltrichloromonosilane
Methyltrichlorosilane [Wiki]
methyl-trichlorsilan
Methyl-trichlorsilan [Czech]
MFCD00000481 [MDL number]
More...

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

VV4550000 [DBID]
440299_ALDRICH [DBID]
679208_ALDRICH [DBID]
69451_FLUKA [DBID]
69452_FLUKA [DBID]
AI3-51465 [DBID]
BRN 1361381 [DBID]
CCRIS 1322 [DBID]
HSDB 840 [DBID]
LS 40 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      11-14-36/37/38 Alfa Aesar B23107
      26-39 Alfa Aesar B23107
      3 Alfa Aesar B23107
      Danger Alfa Aesar B23107
      DANGER: FLAMMABLE, CORROSIVE, causes CNS injury, irritation Alfa Aesar B23107
      H225-H315-H319-H335-EUH014 Alfa Aesar B23107
      Highly Flammable/Corrosive/Harmful/Moisture Sensitive/Store under Argon/Keep Cold SynQuest 5181-5-07, 60301
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar B23107
      R11,R14,R18,R20/21/22,R35,R41 SynQuest 5181-5-07
      R11,R14,R20/21,R35,R36/37/38 SynQuest 60301
      S16,S23,S24/25,S26,S30,S33,S36/37/39,S45 SynQuest 5181-5-07
      S16,S23,S24/25,S26,S36/37/39,S45 SynQuest 60301
  • Gas Chromatography
    • Retention Index (Kovats):

      594 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 70 C; CAS no: 75796; Active phase: SE-30; Carrier gas: Ar; Data type: Kovats RI; Authors: Kirichenko, E.A.; Markov, B.A.; Kochetov, V.A.; Kuznetsova, T.I., Chromatographic retention indices of alkylchlorosilanes, Zh. Anal. Khim., 30(6), 1975, 1038-1040, In original 1232-1235.) NIST Spectra nist ri
      600 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 100 C; CAS no: 75796; Active phase: SE-30; Carrier gas: Ar; Data type: Kovats RI; Authors: Kirichenko, E.A.; Markov, B.A.; Kochetov, V.A.; Kuznetsova, T.I., Chromatographic retention indices of alkylchlorosilanes, Zh. Anal. Khim., 30(6), 1975, 1038-1040, In original 1232-1235.) NIST Spectra nist ri
      598.9 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 50 C; CAS no: 75796; Active phase: Polymethylsiloxane, (PMS-20000); Carrier gas: He; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Ainshtein, A.A.; Shulyatieva, T.I., Retention indices of alkyl- and arylchlorosilanes, Zh. Anal. Khim., 27, 1972, 816-821.) NIST Spectra nist ri
      598 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 40 C; CAS no: 75796; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Garzo, G.; Fekete, J.; Blazso, M., Determination of the gas chromatographic retention indices of various organometallic compounds, Acta Chim. Acad. Sci. Hung., 51(4), 1967, 359-369.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      609.9 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 75796; Active phase: Lucopren G (silicone elastomer); Carrier gas: N2; Substrate: Celite 545 (0.12-0.15 mm); Data type: Normal alkane RI; Authors: Wurst, M.; Churacek, J., Analyse von organosiliciumverbindungen. VI. Retentionsindices der organosiliciumverbindungen bie der gaschromatographie, Collect. Czech. Chem. Commun., 36, 1971, 3497-3506.) NIST Spectra nist ri

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

Density: 1.3±0.1 g/cm3
Boiling Point: 73.5±3.0 °C at 760 mmHg
Vapour Pressure: 124.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.2±3.0 kJ/mol
Flash Point: -15.0±0.0 °C
Index of Refraction: 1.434
Molar Refractivity: 29.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 711.50
ACD/KOC (pH 5.5): 3829.90
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 711.50
ACD/KOC (pH 7.4): 3829.90
Polar Surface Area: 0 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 21.1±3.0 dyne/cm
Molar Volume: 114.9±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) =  2.01

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  58.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -77.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  157  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -90 deg C
    BP  (exp database):  65.6 deg C
    VP  (exp database):  1.67E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1473
       log Kow used: 2.01 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  71.768 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.34E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.096E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.01  (KowWin est)
  Log Kaw used:  -0.661  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.671
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6764
   Biowin2 (Non-Linear Model)     :   0.7081
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8688  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6321  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2679
   Biowin6 (MITI Non-Linear Model):   0.1455
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 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):  2.23E+004 Pa (167 mm Hg)
  Log Koa (Koawin est  ): 2.671
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.35E-010 
       Octanol/air (Koa) model:  1.15E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.87E-009 
       Mackay model           :  1.08E-008 
       Octanol/air (Koa) model:  9.21E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1496 E-12 cm3/molecule-sec
      Half-Life =    71.497 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.82E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.846 (BCF = 7.008)
       log Kow used: 2.01 (estimated)

 Volatilization from Water:
    Henry LC:  0.00534 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.382  hours
    Half-Life from Model Lake :      117.6  hours   (4.9 days)

 Removal In Wastewater Treatment:
    Total removal:              68.11  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     1.03  percent
    Total to Air:               67.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       47.9            1.72e+003    1000       
   Water     39.9            360          1000       
   Soil      12.1            720          1000       
   Sediment  0.142           3.24e+003    0          
     Persistence Time: 160 hr


 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.01

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  58.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -77.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  157  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -90 deg C
    BP  (exp database):  65.6 deg C
    VP  (exp database):  1.67E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1473
       log Kow used: 2.01 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  71.768 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.34E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.096E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.01  (KowWin est)
  Log Kaw used:  -0.661  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.671
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6764
   Biowin2 (Non-Linear Model)     :   0.7081
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8688  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6321  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2679
   Biowin6 (MITI Non-Linear Model):   0.1455
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 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):  2.23E+004 Pa (167 mm Hg)
  Log Koa (Koawin est  ): 2.671
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.35E-010 
       Octanol/air (Koa) model:  1.15E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.87E-009 
       Mackay model           :  1.08E-008 
       Octanol/air (Koa) model:  9.21E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1496 E-12 cm3/molecule-sec
      Half-Life =    71.497 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.82E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.846 (BCF = 7.008)
       log Kow used: 2.01 (estimated)

 Volatilization from Water:
    Henry LC:  0.00534 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.382  hours
    Half-Life from Model Lake :      117.6  hours   (4.9 days)

 Removal In Wastewater Treatment:
    Total removal:              68.11  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     1.03  percent
    Total to Air:               67.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       47.9            1.72e+003    1000       
   Water     39.9            360          1000       
   Soil      12.1            720          1000       
   Sediment  0.142           3.24e+003    0          
     Persistence Time: 160 hr


 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.01

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  58.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -77.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  157  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -90 deg C
    BP  (exp database):  65.6 deg C
    VP  (exp database):  1.67E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1473
       log Kow used: 2.01 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  71.768 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.34E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.096E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.01  (KowWin est)
  Log Kaw used:  -0.661  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.671
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6764
   Biowin2 (Non-Linear Model)     :   0.7081
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8688  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6321  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2679
   Biowin6 (MITI Non-Linear Model):   0.1455
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 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):  2.23E+004 Pa (167 mm Hg)
  Log Koa (Koawin est  ): 2.671
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.35E-010 
       Octanol/air (Koa) model:  1.15E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.87E-009 
       Mackay model           :  1.08E-008 
       Octanol/air (Koa) model:  9.21E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1496 E-12 cm3/molecule-sec
      Half-Life =    71.497 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.82E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.846 (BCF = 7.008)
       log Kow used: 2.01 (estimated)

 Volatilization from Water:
    Henry LC:  0.00534 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.382  hours
    Half-Life from Model Lake :      117.6  hours   (4.9 days)

 Removal In Wastewater Treatment:
    Total removal:              68.11  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     1.03  percent
    Total to Air:               67.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       47.9            1.72e+003    1000       
   Water     39.9            360          1000       
   Soil      12.1            720          1000       
   Sediment  0.142           3.24e+003    0          
     Persistence Time: 160 hr




                    

Click to predict properties on the Chemicalize site






Advertisement