Triethylaluminum C6H15Al structure Flashcard

C6H15Al structure
Molecular FormulaC6H15Al
Average mass114.165 Da
Density
Boiling Point
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:

      -50 °C Alfa Aesar
      -50 °C Oxford University Chemical Safety Data (No longer updated) More details
      -50 °C Alfa Aesar 89054, 43243
      0.835 °C LabNetwork LN00163742
    • Experimental Boiling Point:

      128-130 deg C / 50 mm (230.7595-233.2244 °C / 760 mmHg)
      Alfa Aesar
      128-130 °C Oxford University Chemical Safety Data (No longer updated) More details
      128-130 °C / 50 mm (230.7595-233.2244 °C / 760 mmHg)
      Alfa Aesar 89054, 43243
    • Experimental Flash Point:

      -18 °C Oxford University Chemical Safety Data (No longer updated) More details
      18 °C Alfa Aesar 89054
      18 °F (-7.7778 °C)
      Alfa Aesar 43243
    • Experimental Gravity:

      0.835 g/mL Alfa Aesar 89054, 43243
      0.832 g/mL Alfa Aesar 43243, 89054
  • Miscellaneous
    • Appearance:

      colourless liquid with a characteristic smell Oxford University Chemical Safety Data (No longer updated) More details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

      Spontaneously flammable in air. Highly flammable. Reacts violently with water. Moisture sensitive. Store under dry inert gas. Incompatible with air,moisture, water, oxidizing agents, alcohols. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      11-14-17-34-48/20-62-51/53-65-67 Alfa Aesar 43243, 89054
      14-17-34 Alfa Aesar 43243, 89054
      16-43-45 Alfa Aesar 43243, 89054
      4.2 Alfa Aesar 43243, 89054
      4.3 Alfa Aesar 43243, 89054
      8-9-16-20-23-26-30-33-36/37/39-45-57 Alfa Aesar 43243, 89054
      Because of the pyrophoric nature of this material, no workshould be started until a full risk assessment has been prepared.Use safety glasses, good ventilation, and appropriatecontainment facilities.
      In case of fire use sand or dry powder – do not use water. Oxford University Chemical Safety Data (No longer updated) More details
      Danger Alfa Aesar 43243, 89054
      DANGER: FLAMMABLE, burns skin & eyes, air & water sensitive Alfa Aesar 89054
      DANGER: PYROPHORIC, burns skin and eyes Alfa Aesar 43243
      H224-H250-H260-H304-H361-H373-H314-H336-H411-EUH014 Alfa Aesar 43243, 89054
      H225-H250-H260-H314-EUH014 Alfa Aesar 43243, 89054
      P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P422a-P501a Alfa Aesar 43243, 89054
      P210-P303+P361+P353-P305+P351+P338-P405-P422a-P501a Alfa Aesar 43243, 89054

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#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) = 3.44

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 199.53 (Adapted Stein & Brown method)
 Melting Pt (deg C): -24.65 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.688 (Mean VP of Antoine & Grain methods)
 MP (exp database): -52.5 deg C
 BP (exp database): 194 deg C
 VP (exp database): 2.56E-02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 120.5
 log Kow used: 3.44 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 539.38 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]: 8.577E-004 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) : 0.6932
 Biowin2 (Non-Linear Model) : 0.8002
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.9469 (weeks )
 Biowin4 (Primary Survey Model) : 3.6830 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.5220
 Biowin6 (MITI Non-Linear Model): 0.6403
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.6753
 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): 3.41 Pa (0.0256 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 8.79E-007 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 3.17E-005 
 Mackay model : 7.03E-005 
 Octanol/air (Koa) model: not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 28.5218 E-12 cm3/molecule-sec
 Half-Life = 0.375 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 4.500 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 5.1E-005 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 252.8
 Log Koc: 2.403 

 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 = 1.952 (BCF = 89.54)
 log Kow used: 3.44 (estimated)

 Volatilization from Water:
 Henry LC: 0.000858 atm-m3/mole (calculated from VP/WS)
 Half-Life from Model River: 1.82 hours
 Half-Life from Model Lake : 109.4 hours (4.56 days)

 Removal In Wastewater Treatment:
 Total removal: 34.12 percent
 Total biodegradation: 0.14 percent
 Total sludge adsorption: 10.14 percent
 Total to Air: 23.84 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 1.53 9 1000 
 Water 18.2 360 1000 
 Soil 79.6 720 1000 
 Sediment 0.713 3.24e+003 0 
 Persistence Time: 380 hr




 

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