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Physical & Chemical properties

Vapour pressure

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Description of key information

The vapour pressure ranges from 0.23 to 4.42 Pa at 25 °C 

Key value for chemical safety assessment

Additional information

In company investigation conducted by Schwiersch (1975), the vapor pressure of 4-chloro-benzotrichloride was measured for seven temperatures between 100 and 220°C in order to establish the Antoine equation. The Antoine equation is a logaritmic linear relation between the vapor pressure of a substance and its temperature.

With this linear relation the vapor pressure can be determined for other temperatures.

The Antoine equation was found to be equal to:

  • log P = 2.844398 + (-29977.626 / (273.15+T)) for P in mBar and T in °C
  • log P = 8.719495 + (-29977.626 / (273.15+T)) for P in Torr and T in °C

Hence, in this study, the vapor pressure of 4-chloro-benzotrichloride was extrapolated at 20 °C and is equal to 0.031 Torr or 4.2 Pa. However, this private investigation is poorly documented and thus should be considered as not assignable.

The value reported for vapour pressure by Hommel (2002) in "Hommel interaktiv - Handbuch der gefährlichen Güter", 0.04 mBar at 20°C, is very close to the extrapolated value given by Schwiersch (1975). Besides, this handbook is considered as reliable with restrictions according to the ECHA guidance on specific endpoint guidance, chapter R7.a.

The remaining data are the results of QSARs approaches.

In a first estimation, the vapour pressure of 4 -chlorobenzotrichloride (CAS n° 5216 -25 -1) has been estimated with the modified grain method with the software MPBPVP (v 1.43) of the EPI suite (v 4.00).

In this modelisation, the software MPBPVP (v 1.43) of the EPI suite (v 4.00) returned a vapour pressure of 3.32 Pa at 25 °C for the the 4-chlorobenzotrichloride.

In a second estimation, the vapour pressure of 4 -chlorobenzotrichloride (CAS n° 5216 -25 -1) has been estimated with the software SPARC (w4.5.1529 -s4.5.1529).

In this modelisation, after encoding of the smile formula and setting the melting point at 5.82 °C, the software returned a vapour pressure of 0.23 Pa at 25 °C for the the 4 -chlorobenzotrichloride. Without setting the melting point, the software returned a vapour pressure of 2.83 Pa at 20 °C.

In addition, a study carried out according to the EU method A.4. is available and the value found under test conditions is 0.04 hPa at 20 °C. However, this study cannot be used by itself as no details on the conditions used are reported.