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Physical & Chemical properties

Boiling point

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Reference
Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2018-05-04 - 2018-11-05
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 103 (Boiling Point)
Version / remarks:
27 July 1995
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.2 (Boiling Temperature)
Version / remarks:
31 May 2008
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
differential scanning calorimetry
Key result
Boiling pt.:
128.3 °C
Decomposition:
no
Remarks on result:
other: no atm. pressure stated in the study report

Pre-Test

After cooling down no signs of decomposition were observed. Based on the pre-test, the boiling point is expected in the range of 130.5 °C.

Security Pre-test for the DSC instrument

The crucible was found visual unchanged after reaching a temperature of 450°C. The weight was recorded with 46.18 mg.

First Determination: A boiling point of 127.75 °C was detected. Based on the findings, the temperature program was adapted from 25 - 160°C for the second measurement to cover the complete event.

Second Determination: A boiling point of 128.40 °C was detected. The deviation between the first and second determination was too high (> 0.5 K) therefore a third measurement was performed.

Third Determination: A boiling point of 128.19 °C was detected.

For the calculation of the values of the mean and the standard deviation, only the second and third determinations were taken into account, as in the first measurement not the whole event could be detected.

The boiling point of the substance is stated as mean value of the second and third measurement: 128.30 °C .

Conclusions:
The boiling point of the substance is stated as mean value of two different measurements: 128.30 °C .
Executive summary:

The determination of the boiling point of the sample was performed via DSC (differential scanning calorimetry) according to GLP, OECD 103 and EU method A.2. In all runs one event was detected.

The event is endotherm and is stated as the boiling point. The results of the study should be stated as followed:

128.30 ± 0.15 C (401.45 ± 0.15 K), representing the mean of two independent determinations fulfilling the validation criteria of this assay.

The result of the first valid determination is stated with: 128.40 °C (401.55 K) The result of the second valid determination is stated with: 128.19 °C (401.34 K)

No observations were made which might cause doubts on the validity of the study outcome. Therefore, the result of the study is considered valid.

Description of key information

The determination of the boiling point of the sample was performed via DSC (differential scanning calorimetry) according to GLP, OECD 103 and EU method A.2. In all runs one event was detected.

The event is endotherm and is stated as the boiling point. The results of the study should be stated as followed:

128.30 ± 0.15 C (401.45 ± 0.15 K), representing the mean of two independent determinations fulfilling the validation criteria of this assay.

The result of the first valid determination is stated with: 128.40 °C (401.55 K) The result of the second valid determination is stated with: 128.19 °C (401.34 K)

No observations were made which might cause doubts on the validity of the study outcome. Therefore, the result of the study is considered valid.

The boiling point of hexanal was described in several handbooks. Described properties are nearly the same: the boiling point of hexanal is 131 °C. No pressure was stated. This result is supported by calculation method (132.2 °C). This data fits with the experimental derived value.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
128.3 °C

Additional information

No pressure is stated in the study report. But the study was performed under room conditions, therefore assuming the standard conditions with a pressure of 1013.25 hPa is applicable for CSR.

Literature-/Calculation-data

CRC Handbook:

The boiling point of hexanal is 131 °C. No pressure was stated.

Sax Dang. Prop.:

The boiling point of hexanal is 131 °C. No pressure was stated.

EPI Suite:

Boiling point of hexanal was calculated with EPI Suite MPBVP v1.43 as 132.2 °C. No pressure was stated.