Bis(4-methylbenzoyl)peroxide

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: 2f: Accepted calculation method

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation by QSAR

GLP compliance:

no

Type of method:

other: QSAR

Temp.:

25 °C

Vapour pressure:

0.012 Pa

Remarks on result:

other: Modified Grain Method

Transition / decomposition:

no

SMILES : Cc2ccc(cc2)C(=O)OOC(=O)c1ccc(C)cc1

MOL FOR: C16 H14 O4

MOL WT : 270.29

Melting point: 134.8

Vapor Pressure Estimations (25°C):

VP: 9.01E-6 mm Hg (Modified Grain Method)

     : 0.0012 Pa (Modified Grain Method

Conclusions:

The vapour pressure of bis(4-methylbenzoyl) peroxide was estimated with EPISUITE Software (MPBPWIN v1.43). The vapour pressure value is 0.0012 Pa at 25°C.

Executive summary:

For safety reasons, the product cannot be dried (it is explosive at the dry state) and the measurement on a wet product is not reliable (the estimated vapour pressure is very low so there is a risk to measure only the vapour pressure of water). Consequently, the experimental determination of vapour pressure for bis(4-methylbenzoyl) peroxide is very difficult and we have chosen to determine this data using a calculation method.

The vapour pressure of bis(4-methylbenzoyl) peroxide was estimated with EPISUITE Software (MPBPWIN v1.43). The calculated vapour pressure value is 0.0012 Pa at 25°C. Consequently, this substance has a very low potential of volatility.

Description of key information

Vapour pressure of bis(4-methylbenzoyl) peroxide was estimated by calculation at 0.0012 Pa (at 25°C).

Key value for chemical safety assessment

Vapour pressure:

0.001 Pa

at the temperature of:

25 °C

Additional information

For safety reasons, the product cannot be dried (it is explosive at the dry state) and the measurement on the wet product is not reliable (the estimated vapour pressure of dibenzoyl peroxide is very low and so, there is a risk to measure only the vapour pressure of water). Consequently, the experimental determination of vapour pressure for bis(4-methylbenzoyl) peroxide is very difficult and we have chosen to determine this data using a calculation method.

The estimation of the vapour pressure of bis(4 -methylbenzoyl) peroxide has been performed using the EPISUITE model v1.43 with the inout of a measure melting point value and the estimated boiling point given by the model. Estimated vapour pressure (using Modified Grain method) is 0.0012 Pa at 25°C.

 

This result shows that bis(4-methylbenzoyl) peroxide has a very low potential of volatility.