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Diss Factsheets

Physical & Chemical properties

Boiling point

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Administrative data

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Test guidelineopen allclose all
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Guideline:
other: OECD Guideline 104
Principles of method if other than guideline:
The determination of the Normal Boiling Temperature of a purified substance can be performed by dynamic vapour
pressure measurement according to the Annex to Commission Directive 92/69/EEC (A.2) and the OECD Test Guideline 103.
Therefore the Normal Boiling Temperature was deduced from vapour pressure data obtained by a dynamic method according
to the Annex to Commission Directive 92/69/EEC (A.4) and the OECD Test Guideline 104.
GLP compliance:
yes (incl. QA statement)
Type of method:
dynamic method

Test material

Constituent 1
Chemical structure
Reference substance name:
(E)-5[(4-chlorophenyl)methylene]-2,2-dimethylcyclopentanone
EC Number:
410-440-9
EC Name:
(E)-5[(4-chlorophenyl)methylene]-2,2-dimethylcyclopentanone
Cas Number:
164058-20-2
Molecular formula:
C14 H15 Cl O
IUPAC Name:
(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one
Details on test material:
- Name of test material (as cited in study report): 5-(4-chlorobenzylidene)-2,2,-dimethylcyclopentanone
- Analytical purity: 96.8%
- Lot/batch No.: COD-000462

Results and discussion

Boiling pointopen allclose all
Boiling pt.:
344.3 °C
Atm. press.:
1 013.25 hPa
Remarks on result:
other: extropolation based on experimental data
Boiling pt.:
344 °C
Remarks on result:
other: DSC analysis

Any other information on results incl. tables

DSC analysis: In order to survey the therrnic behaviour of the test item one determination (test1) was run up to 400°C. An exothermic decomposition was not observed. An endothermic peak with an onset at 344°C was observed. In combination with the recorded loss of mass this indicates the vaporization of the test item.

The regression of the results leads with a mean deviation of 0.09 % to the following equation: In(p/hPa) =17.3023 - 5344.17 /(170.49+ t/°C) The Normal Boiling Temperature was obtained by extrapolation. 344.3°C/1013.25hPa

Temperature (°C)  measurement (hPa) calculation (hPa)
126.19  0.49  0.49
131.62  0.68  0.69
137.86  0.97  0.97
151.13  1.99  1.99
159.21  2.99  2.98
170.00  4.99  4.99
177.48  6.99  6.99
185.68  9.95  9.95
203.11  20.02  20.04
213.98  29.99  30.03
228.64  50.01  50.04
238.92  70.01  70.03
250.39  100.04  99.95
274.77  200.2  200.3
290.23  299.6  299.7
311.41  499.4  499.0
326.61  700.1  700.4
343.39  995.7  994.9

Applicant's summary and conclusion