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Physical & Chemical properties

Additional physico-chemical information

Administrative data

Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference Type:
other company data
Report date:

Materials and methods

Test guideline
no guideline followed
GLP compliance:

Test material

Constituent 1
Chemical structure
Reference substance name:
Aluminium chloride
EC Number:
EC Name:
Aluminium chloride
Cas Number:
Molecular formula:
aluminum trichloride

Results and discussion

Any other information on results incl. tables

The reaction enthalpy (DHREAK) was calculated from the standard formation enthalpies (DHFORM) of the substances involved. The data comes from the NBS tables. In the two comparative reactions I assumed the value for ionized HCl in aqueous solution for DHFORM for HCL. The reaction enthalpy of the AlCl3 reaction is the highest, so one can definitely speak of “reacting violently with water”. The specified temperature increases are incorrect (too high): The increase in Cp’s with increasing temperature is not taken into account and the Cp of the HCl that is produced is uncertain (dissociation, concentration dependency). As a relative comparison, the values ​​are a first indication. TiCl4 and CH3COCl are legal classified with EUH014.

298,15K   1bar  (cp:=const.) D.D.Wagman NBS Tables of chemical thermodynamic properties, 1982
    DHFORM cp       DHREAK dQ dT=dQ/Cp
    kJ/mol J/mol/K     kJ/mol kJ/mol K
AlCl3 sol -704,2 91,8 AlCl3 + 6 H20 = AlCl3*(6H2O) -272,4 272,4 919,7
H2O liq -285,8 75,3          
AlCl3*(6H2O) sol -2691,6 296,2          
TiCl4 liq -804,2 145,2 TiCl4 + 2 H2O = TiO2 + 4 HCl -237,5 237,5 860,4
TiO2 sol (rutil) -944,7 55,0          
H2O liq -285,8 75,3          
HCl ai -167,2 55,3          
CH3COCl liq -273,8 117,0 CH3COCl + H2O = CH3COOH + HCl -92,0 92,0 512,6
CH3COOH liq -484,5 124,3          
H2O liq -285,8 75,3          
HCl ai -167,2 55,3          

Applicant's summary and conclusion

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