ChemSpider 2D Image | Trichloro(2-chloroethyl)silane | C2H4Cl4Si

Trichloro(2-chloroethyl)silane

  • Molecular FormulaC2H4Cl4Si
  • Average mass197.951 Da
  • Monoisotopic mass195.883636 Da
  • ChemSpider ID72604

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

(β-Chloroethyl)trichlorosilane
(β-Chloroethyl)trichlorosilane
228-345-4 [EINECS]
6233-20-1 [RN]
Silane, trichloro(2-chloroethyl)- [ACD/Index Name]
Trichlor(2-chlorethyl)silan [German] [ACD/IUPAC Name]
Trichloro(2-chloroethyl)silane [ACD/IUPAC Name]
Trichloro(2-chloroéthyl)silane [French] [ACD/IUPAC Name]
β-Chloroethyl trichloro silane
(2-Chloroethyl)trichlorosilane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

24611_FLUKA [DBID]
NSC 139828 [DBID]
NSC139828 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 137.7±13.0 °C at 760 mmHg
    Vapour Pressure: 8.7±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 36.0±3.0 kJ/mol
    Flash Point: 40.4±14.6 °C
    Index of Refraction: 1.464
    Molar Refractivity: 39.4±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.79
    ACD/LogD (pH 5.5): 4.65
    ACD/BCF (pH 5.5): 2006.56
    ACD/KOC (pH 5.5): 8044.37
    ACD/LogD (pH 7.4): 4.65
    ACD/BCF (pH 7.4): 2006.56
    ACD/KOC (pH 7.4): 8044.37
    Polar Surface Area: 0 Å2
    Polarizability: 15.6±0.5 10-24cm3
    Surface Tension: 26.7±3.0 dyne/cm
    Molar Volume: 142.8±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) =  2.75

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  146.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -30.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.8  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  199.9
       log Kow used: 2.75 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.6684 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.50E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.254E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.75  (KowWin est)
  Log Kaw used:  -0.991  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.741
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5419
   Biowin2 (Non-Linear Model)     :   0.1604
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5885  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4615  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2232
   Biowin6 (MITI Non-Linear Model):   0.0488
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8734
 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):  587 Pa (4.4 mm Hg)
  Log Koa (Koawin est  ): 3.741
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.11E-009 
       Octanol/air (Koa) model:  1.35E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.85E-007 
       Mackay model           :  4.09E-007 
       Octanol/air (Koa) model:  1.08E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8064 E-12 cm3/molecule-sec
      Half-Life =    13.264 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.97E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  178.2
      Log Koc:  2.251 

 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 = 1.419 (BCF = 26.26)
       log Kow used: 2.75 (estimated)

 Volatilization from Water:
    Henry LC:  0.0025 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.765  hours
    Half-Life from Model Lake :      137.2  hours   (5.718 days)

 Removal In Wastewater Treatment:
    Total removal:              51.45  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     2.75  percent
    Total to Air:               48.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       21.3            318          1000       
   Water     27.8            900          1000       
   Soil      50.5            1.8e+003     1000       
   Sediment  0.37            8.1e+003     0          
     Persistence Time: 304 hr

    Click to predict properties on the Chemicalize site


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