ChemSpider 2D Image | Chlorodimethylsilane | C2H7ClSi

Chlorodimethylsilane

  • Molecular FormulaC2H7ClSi
  • Average mass94.616 Da
  • Monoisotopic mass94.000557 Da
  • ChemSpider ID59496

More details:






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

1066-35-9 [RN]
213-912-0 [EINECS]
Chlor(dimethyl)silan [German] [ACD/IUPAC Name]
Chloro(dimethyl)silane [ACD/IUPAC Name]
Chloro(diméthyl)silane [French] [ACD/IUPAC Name]
Chlorodimethylsilane
Silane, chlorodimethyl- [ACD/Index Name]
30687-62-8 [RN]
4930-98-7 [RN]
CD5470
More...

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

XR7E4F5838 [DBID]
UNII:XR7E4F5838 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Safety:

      12/1/1934 12:00:00 AM Alfa Aesar A13113
      12-34 Alfa Aesar A13113
      3 Alfa Aesar A13113
      3-16-20-23-26-33-36/37/39-45-60 Alfa Aesar A13113
      Danger Alfa Aesar A13113
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar A13113
      Dec-34 Alfa Aesar A13113
      H224-H314 Alfa Aesar A13113
      P210-P280-P305+P351+P338-P403 Alfa Aesar A13113
  • Gas Chromatography
    • Retention Index (Kovats):

      450 (estimated with error: 89) NIST Spectra mainlib_133319
      485 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 50 C; CAS no: 1066359; 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
    • Retention Index (Normal Alkane):

      533.9 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 1066359; 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:
Boiling Point: 33.1±9.0 °C at 760 mmHg
Vapour Pressure: 568.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 26.7±3.0 kJ/mol
Flash Point: -28.9±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.85
ACD/KOC (pH 5.5): 1012.08
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.85
ACD/KOC (pH 7.4): 1012.08
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) =  2.78

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -32.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -68.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.22E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  507.5
       log Kow used: 2.78 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.8165 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.864E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3346
   Biowin2 (Non-Linear Model)     :   0.1441
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5658  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4043  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5659
   Biowin6 (MITI Non-Linear Model):   0.6439
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1676
 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):  6.21E+005 Pa (4.66E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.83E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.74E-010 
       Mackay model           :  3.86E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.8E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 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 = 1.444 (BCF = 27.79)
       log Kow used: 2.78 (estimated)

 Volatilization from Water:
    Henry LC:  0.186 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:     0.9957  hours   (59.74 min)
    Half-Life from Model Lake :      92.43  hours   (3.851 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.80  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     1.64  percent
    Total to Air:               98.14  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       51.8            1e+005       1000       
   Water     46.9            900          1000       
   Soil      0.644           1.8e+003     1000       
   Sediment  0.665           8.1e+003     0          
     Persistence Time: 166 hr




                    

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