3-chlorophthalic anhydride

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Study period:

2004

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Remarks:

The calculation method was validated with experimental vapor pressure data on several phthalate and chlorinated aromatic compounds, and the error of the calculation method was estimated based on these vapor pressure data.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2004

Report date:

2004

Materials and methods

Principles of method if other than guideline:

OECD Guideline 104 supports the use of the Watson correlation for the calculation of vapor pressure. OECD does not specifically reject other calculation methods. Comparison of calculated vapor pressures of 11 compounds using the Watson correlation method and using the Advanced Chemistry Development Inc. (ACD) method showed that the ACD results were generally more accurate than the “Watson values”. This comparison was made on vapor pressure data of a wide range of chemical classes including ether, carboxylic acid, carbamate, phenol, halogenated aromatic and aliphatic, and nitro. For the estimation of the vapor pressure of 3 CLPA, a calculation approach was judged to be appropriate.

GLP compliance:

no

Remarks:

Not Applicable

Type of method:

other: calculation

Test material

Test material information

Constituent 1

Reference substance name:

3-chlorophthalic anhydride

EC Number:

204-179-8

EC Name:

3-chlorophthalic anhydride

Cas Number:

117-21-5

Molecular formula:

C8H3ClO3

IUPAC Name:

4-chloro-1,3-dihydro-2-benzofuran-1,3-dione

Results and discussion

Vapour pressure

Key result

Temp.:

25 °C

Vapour pressure:

>= 0.02 - <= 0.08 Pa

Applicant's summary and conclusion

Conclusions:

The vapor pressure was calculated to be 0.05 ± 0.03 Pa at 25 °C.

Executive summary:

The vapor pressure was determined per calculation. OECD Guideline 104 supports the use of the Watson correlation for the calculation of vapor pressure. OECD does not specifically reject other calculation methods. Comparison of calculated vapor pressures of 11 compounds using the Watson correlation method and using the Advanced Chemistry Development Inc. (ACD) method showed that the ACD results were generally more accurate than the “Watson values”. The vapor pressure of the test substance was calculated with a method that was validated with experimental vapor pressure data that included a wide range of chemical classes including ether, carboxylic acid, carbamate, phenol, halogenated aromatic and aliphatic, and nitro. The vapor pressure was calculated to be 0.05 ± 0.03 Pa at 25 °C.