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Home Page Flashcards Silane H4Si structure - Flashcards

Silane H4Si structure – Flashcards

Flashcard maker : Alexandra Robertson

H4Si structure
Molecular Formula H4Si
Average mass 32.117 Da
Density
Boiling Point -112.0±9.0 °C at 760 mmHg
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      1414 °C FooDB FDB003713

    • Experimental Boiling Point:

      -169 F (-111.6667 °C)
      NIOSH VV1400000

    • Experimental Vapor Pressure:

      1 atm (760 mmHg)
      NIOSH VV1400000

    • Experimental Freezing Point:

      -301 F (-185 °C)
      NIOSH VV1400000

    • Experimental Solubility:

      Decomposes NIOSH VV1400000
  • Miscellaneous

    • Appearance:

      Colorless gas with a repulsive odor. NIOSH VV1400000

    • Safety:

      11 Alfa Aesar 00311, 12681, 35662, 36212, 36376, 38542, 38715, 38717, 38723, 39101, 39102, 39103, 39109, 39110, 39112, 39688, 43006, 43867, 43926, 44185, 44384, 88095
      20/21/22-34 Alfa Aesar 00311, 13814, 14209, 14435, 44384, 88095
      26-60 Alfa Aesar 35662, 36212, 36376, 38542, 38715, 38717, 38723, 39101, 39102, 39103, 39109, 39110, 39112, 39688
      33 Alfa Aesar 00311, 12681, 35662, 36212, 36376, 38542, 38715, 38717, 38723, 39101, 39102, 39103, 39109, 39110, 39112, 39688, 43006, 43867, 43926, 44185, 44384, 88095
      36 Alfa Aesar 35662, 36212, 36376, 38542, 38715, 38717, 38723, 39101, 39102, 39103, 39109, 39110, 39112, 39688
      7/9-23-26-36/37-45 Alfa Aesar 13814, 14209, 14435
      9-20-23-26-36/37/39-45-60 Alfa Aesar 00311, 44384, 88095
      CAUTION: May be harmful if swallowed Alfa Aesar 38717, 38723
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar 13814, 14435
      DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar 35662, 36212, 38715, 39688, 44185, 44384
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar 00311, 12681
      Not known to be hazardous in this form Alfa Aesar 10335, 36376, 39101, 39102, 39103, 39109, 39110, 39112, 40890, 40891, 40892, 40893, 43006, 43926
      WARNING: Dust may irritate eyes and lungs Alfa Aesar 38542
      WARNING: Irritates lungs, eyes, skin Alfa Aesar 14209, 43867

    • First-Aid:

      Breathing: Respiratory support NIOSH VV1400000

    • Exposure Routes:

      inhalation NIOSH VV1400000

    • Symptoms:

      Irritation eyes, skin, mucous membrane; nausea, headache NIOSH VV1400000

    • Target Organs:

      Eyes, skin, respiratory system, central nervous system NIOSH VV1400000

    • Incompatibility:

      Halogens (bromine, chlorine, carbonyl chloride, antimony pentachloride, tin(IV) chloride), water NIOSH VV1400000

    • Personal Protection:

      Skin: No recommendation Eyes: No recommendation Wash skin: No recommendation Remove: No recommendation Change: No recommendation NIOSH VV1400000

    • Exposure Limits:

      NIOSH REL : TWA 5 ppm (7 mg/m 3 ) OSHA PEL ?: none NIOSH VV1400000

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

Density:
Boiling Point: -112.0±9.0 °C at 760 mmHg
Vapour Pressure: 54292.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 12.1±0.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
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:
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) = 0.53

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 441.74 (Adapted Stein & Brown method)
 Melting Pt (deg C): 159.49 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 3.29E-008 (Modified Grain method)
 Subcooled liquid VP: 7.88E-007 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): 4.138e+004
 log Kow used: 0.53 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 234.94 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]: 3.360E-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) : 0.7323
 Biowin2 (Non-Linear Model) : 0.9278
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.1282 (weeks )
 Biowin4 (Primary Survey Model) : 3.8014 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.6166
 Biowin6 (MITI Non-Linear Model): 0.8318
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.8361
 Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
 Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 0.000105 Pa (7.88E-007 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 0.0286 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.508 
 Mackay model : 0.696 
 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): 0.602 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 14.3
 Log Koc: 1.155 

 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 = 0.500 (BCF = 3.162)
 log Kow used: 0.53 (estimated)

 Volatilization from Water:
 Henry LC: 3.36E-014 atm-m3/mole (calculated from VP/WS)
 Half-Life from Model River: 9.875E+009 hours (4.115E+008 days)
 Half-Life from Model Lake : 1.077E+011 hours (4.489E+009 days)

 Removal In Wastewater Treatment:
 Total removal: 1.86 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.77 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 1.77e-006 1e+005 1000 
 Water 37.3 360 1000 
 Soil 62.6 720 1000 
 Sediment 0.0704 3.24e+003 0 
 Persistence Time: 590 hr

Click to predict properties on the Chemicalize site

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