ChemSpider 2D Image | Trichloro(chloromethyl)silane | CH2Cl4Si

Trichloro(chloromethyl)silane

  • Molecular FormulaCH2Cl4Si
  • Average mass183.924 Da
  • Monoisotopic mass181.867981 Da
  • ChemSpider ID14523

More details:






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

(CHLOROMETHYL)TRICHLOROSILANE
1558-25-4 [RN]
216-316-9 [EINECS]
Chloromethyltrichlorosilane
Silane, chloromethyl(trichloro)-
Silane, trichloro(chloromethyl)- [ACD/Index Name]
Trichlor(chlormethyl)silan [German] [ACD/IUPAC Name]
Trichloro(chloromethyl)silane [ACD/IUPAC Name] [Wiki]
Trichloro(chlorométhyl)silane [French] [ACD/IUPAC Name]
(CHLOROMETHYL)TRICHLOROSILANE,95%
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

03TZM169KH [DBID]
25295_FLUKA [DBID]
254436_ALDRICH [DBID]
77829_FLUKA [DBID]
BRN 1811640 [DBID]
HSDB 6419 [DBID]
NSC 139830 [DBID]
NSC139830 [DBID]
UNII:03TZM169KH [DBID]
UNII-03TZM169KH [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      14-26-35 Alfa Aesar L16433
      6.1 Alfa Aesar L16433
      9-23-26-28-36/37/39-45 Alfa Aesar L16433
      Danger Alfa Aesar L16433
      H330-H314-EUH014 Alfa Aesar L16433
      HIGHLY TOXIC Alfa Aesar L16433
      P280-P305+P351+P338-P309-P310-P302+P352-P402 Alfa Aesar L16433
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      707.1 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 1558254; 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: 1.5±0.1 g/cm3
Boiling Point: 117.5±0.0 °C at 760 mmHg
Vapour Pressure: 20.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.1±3.0 kJ/mol
Flash Point: 69.4±0.0 °C
Index of Refraction: 1.463
Molar Refractivity: 34.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1180.82
ACD/KOC (pH 5.5): 5503.86
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1180.82
ACD/KOC (pH 7.4): 5503.86
Polar Surface Area: 0 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 25.9±3.0 dyne/cm
Molar Volume: 126.3±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) =  2.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  123.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -43.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  17.1  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  118 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  617.3
       log Kow used: 2.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  27.736 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.88E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.704E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.26  (KowWin est)
  Log Kaw used:  -1.114  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.374
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5486
   Biowin2 (Non-Linear Model)     :   0.1891
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6195  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4818  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2155
   Biowin6 (MITI Non-Linear Model):   0.0477
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8474
 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):  2.13E+003 Pa (16 mm Hg)
  Log Koa (Koawin est  ): 3.374
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.41E-009 
       Octanol/air (Koa) model:  5.81E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.08E-008 
       Mackay model           :  1.12E-007 
       Octanol/air (Koa) model:  4.65E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.3904 E-12 cm3/molecule-sec
      Half-Life =    27.397 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.16E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  96.63
      Log Koc:  1.985 

 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 = 1.041 (BCF = 11)
       log Kow used: 2.26 (estimated)

 Volatilization from Water:
    Henry LC:  0.00188 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.806  hours
    Half-Life from Model Lake :      133.4  hours   (5.559 days)

 Removal In Wastewater Treatment:
    Total removal:              44.36  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     1.70  percent
    Total to Air:               42.60  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       30.5            658          1000       
   Water     36.1            900          1000       
   Soil      33.2            1.8e+003     1000       
   Sediment  0.198           8.1e+003     0          
     Persistence Time: 242 hr




                    

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