Hexachlorodisilane Cl6Si2 structure

Cl6Si2 structure
Molecular Formula Cl6Si2
Average mass 268.889 Da
Density 1.6±0.1 g/cm3
Boiling Point 144.5±9.0 °C at 760 mmHg
Flash Point
Molar Refractivity 48.6±0.3 cm3
Polarizability 19.3±0.5 10-24cm3
Surface Tension 26.3±3.0 dyne/cm
Molar Volume 168.3±3.0 cm3
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless liquid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable, but reacts violently with water.Moisture sensitive. May be shock sensitive. Incompatible with water,moisture, acids, strong bases, oxidizing agents, alcohols. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      Safety glasses, gloves, adequate ventilation.Store under dry inert atmosphere. Oxford University Chemical Safety Data (No longer updated) More details

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

Density: 1.6±0.1 g/cm3
Boiling Point: 144.5±9.0 °C at 760 mmHg
Vapour Pressure: 6.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 36.6±3.0 kJ/mol
Flash Point:
Index of Refraction: 1.489
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.55
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 26.3±3.0 dyne/cm
Molar Volume: 168.3±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) = 2.69

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 537.58 (Adapted Stein & Brown method)
 Melting Pt (deg C): 218.97 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 2.58E-011 (Modified Grain method)
 Subcooled liquid VP: 3.03E-009 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): 93.31
 log Kow used: 2.69 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 0.15332 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]: 9.783E-014 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) : 0.6195
 Biowin2 (Non-Linear Model) : 0.3080
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.6050 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.4598 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : -0.0878
 Biowin6 (MITI Non-Linear Model): 0.0053
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.8361
 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): 4.04E-007 Pa (3.03E-009 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 7.43 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.996 
 Mackay model : 0.998 
 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): 0.997 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 224.7
 Log Koc: 2.352 

 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 = 1.372 (BCF = 23.55)
 log Kow used: 2.69 (estimated)

 Volatilization from Water:
 Henry LC: 9.78E-014 atm-m3/mole (calculated from VP/WS)
 Half-Life from Model River: 9.814E+009 hours (4.089E+008 days)
 Half-Life from Model Lake : 1.071E+011 hours (4.461E+009 days)

 Removal In Wastewater Treatment:
 Total removal: 3.77 percent
 Total biodegradation: 0.11 percent
 Total sludge adsorption: 3.66 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 0.000329 1e+005 1000 
 Water 14.5 900 1000 
 Soil 85.4 1.8e+003 1000 
 Sediment 0.171 8.1e+003 0 
 Persistence Time: 1.71e+003 hr




 

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