ChemSpider 2D Image | trimethylaluminum | C3H9Al

trimethylaluminum

  • Molecular FormulaC3H9Al
  • Average mass72.085 Da
  • Monoisotopic mass72.051964 Da
  • ChemSpider ID10606585

More details:



Featured data source



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

200-853-0 [EINECS]
75-24-1 [RN]
AlMe3
Aluminum trimethanide
Aluminum, trimethyl- [ACD/Index Name]
AV210LG46J
BD2204000
MFCD00008252 [MDL number]
TMA
trimethyl aluminum
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

198048_ALDRICH [DBID]
257222_ALDRICH [DBID]
268569_ALDRICH [DBID]
379239_ALDRICH [DBID]
663301_ALDRICH [DBID]
BRN 3587197 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Toxicity:

      Organic Compound; Aluminum Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D1536
    • Safety:

      11-14-20-38-48-62-51/53-65-67 Alfa Aesar 42836
      11-14-34-48/20-62-51/53-65-67 Alfa Aesar 42836
      4.3 Alfa Aesar 42836
      8-9-16-20-23-26-30-33-36/37/39-43-45-57-60 Alfa Aesar 42836
      8-9-16-23-30-33-36/37-43-57-60-62 Alfa Aesar 42836
      Danger Alfa Aesar 42836
      DANGER: FLAMMABLE, burns skin & eyes, air & water sensitive Alfa Aesar 42836
      H225-H260-H304-H361f-H373-H314-H336-H411-EUH014 Alfa Aesar 42836
      P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar 42836

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

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: 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) =  1.97

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  135.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -60.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  12.3  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  15.4 deg C
    BP  (exp database):  130 deg C
    VP  (exp database):  1.24E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2792
       log Kow used: 1.97 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13908 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]:  4.179E-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)         :   0.7132
   Biowin2 (Non-Linear Model)     :   0.8792
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0399  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7437  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4989
   Biowin6 (MITI Non-Linear Model):   0.6231
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5974
 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):  1.65E+003 Pa (12.4 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.81E-009 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.55E-008 
       Mackay model           :  1.45E-007 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.0800 E-12 cm3/molecule-sec
      Half-Life =     2.622 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    31.459 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.05E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 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 = 0.818 (BCF = 6.57)
       log Kow used: 1.97 (estimated)

 Volatilization from Water:
    Henry LC:  0.000418 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      2.056  hours
    Half-Life from Model Lake :      93.62  hours   (3.901 days)

 Removal In Wastewater Treatment:
    Total removal:              17.68  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.86  percent
    Total to Air:               15.73  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       12.7            62.9         1000       
   Water     33.8            360          1000       
   Soil      53.5            720          1000       
   Sediment  0.115           3.24e+003    0          
     Persistence Time: 240 hr




                    

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