3,5-dimethylbenzoyl chloride

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

21 July 1992 - 4 February 1993

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted to GLP in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference

Reference 1

Reference Type:

study report

Title:

Unnamed

Year:

1993

Report date:

1993

Reference 2

Reference Type:

study report

Title:

Unnamed

Year:

1993

Report date:

1993

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

GLP compliance:

yes

Type of method:

isoteniscope

Test material

Test material information

Constituent 1

Reference substance name:

3,5-dimethylbenzoyl chloride

EC Number:

413-010-9

EC Name:

3,5-dimethylbenzoyl chloride

Cas Number:

6613-44-1

Molecular formula:

C9H9ClO

IUPAC Name:

3,5-dimethylbenzoyl chloride

Details on test material:

Test material name: DMBC
Appearance: clear, colourless liquid
Storage conditions: room temperature in the dark

Results and discussion

Vapour pressure

Temp.:

25 °C

Vapour pressure:

5.2 Pa

Remarks on result:

other: +/- 0.6 Pa

Any other information on results incl. tables

Run 1 Results:

The sample was initially allowed to boil for about 10 minutes at around 224°C under a reduced pressure of 494 mmHg and showed no signs of decomposition. A small amount of material distilled into the small sidearm.

A plot of Log (Vapour Pressure / Pa) vs Reciprocal Temperature (K / T) gives the following statistical data using an unweighted least squares treatment:

 

Slope: -2946.875

Intercept: 10.702

Standard deviation in Slope: 63.094

above as % of Slope: 2.141 

Standard deviation in Intercept: 0.140

above as % of Intercept: 1.305

 

The results obtained indicate the following Vapour Pressure relationship:

Log Vp(Pa) = [-2946.875 (± 63.094) / Temp (K)] + 10.702 (± 0.140)

The above yields a calculated vapour pressure at 298.15 K of Vp (298.15 K) = 6.584E + 00 Pa (-1.006E + 00 / + 1.187E + 00).

 

 

Run 2 Results:

After Run 1 the sample was then backflushed with nitrogen & boiled for around 10 minutes at 225 °C under a reduced pressure of 447.5 mmHg prior to Run 2. Again some sample was collected in the sidearm.

A plot of Log (Vapour Pressure / Pa) vs Reciprocal Temperature (K / T) gives the following statistical data using an unweighted least squares treatment:

 

Slope: -3000.847

Intercept: 10.782

Standard deviation in Slope: 38.033

above as % of Slope: 1.267 

Standard deviation in Intercept: 0.082

above as % of Intercept: 0.763

 

The results obtained indicate the following Vapour Pressure relationship:

Log Vp(Pa) = [-3000.847 (± 38.033) / Temp (K)] + 10.782 (± 0.082)

The above yields a calculated vapour pressure at 298.15 K of Vp (298.15 K) = 5.218E + 00 Pa (-5.169E-01 / + 5.737E-01).

 

DISCUSSION

Run 1 gave the rounded calculated vapour pressure value at 298.15 K Vp (298.15 K) = 6.6 ± 1.5 Pascals.

Run 2 gave the rounded calculated vapour pressure value at 298.15 K Vp (298.15 K) = 5.2 ± 0.6 Pascals.

The small amounts of sample (around 1 %) trapped in the distillation sidearm between runs probably contained a small amount of more volatile material (the sample has >99 % purity) and the above progression would be a consequence of this.

The above results are equivalent to extrapolated Normal Boiling Points of 244.2 °C & 246.4 °C respectively in close agreement with the stated value of 239 °C (precise pressure not given).

The result above for Run 2 is considered an adequate measure of the vapour pressure of the more degassed sample.

Applicant's summary and conclusion

Conclusions:

Vp (298.15 K) = 5.2 ± 0.6 Pascals.

Executive summary:

The vapour pressure of DMBC at a temperature of 298.15 K was determined to be 5.2 ± 0.6 Pascals. The vapour pressure measurements were performed in accordance with EEC Directive 67/548. Annex V, A4 as published in 84/449/EEC and the Health & Safety Commissions Approved Code of Practice. Test A4.