Registration Dossier
Registration Dossier
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EC number: 231-701-1 | CAS number: 7691-02-3
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Version / remarks:
- 1.4.5. / 1.6.5
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point)
- GLP compliance:
- no
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Remarks:
- DIN EN ISO 9001:2015
- Type of method:
- photocell detection
- Remarks:
- Capillary tube method
- Key result
- Boiling pt.:
- 437.2 K
- Atm. press.:
- ca. 1 013 hPa
- Remarks on result:
- other: Average BP calculated for correction to atmospheric pressure.
- Key result
- Boiling pt.:
- 164 °C
- Atm. press.:
- ca. 1 013 hPa
- Remarks on result:
- other: Average BP calculated for correction to atmospheric pressure.
- Conclusions:
- A boiling point value of 164 °C was determined at 1013 hPa in an experimental study using an appropiate guideline method. This result is considered reliable.
Reference
Test |
Measured boiling temperature |
Measured atmospheric pressure |
Boiling temperature corrected to standard pressure |
||
°C |
K |
hPa |
°C |
K |
|
1 |
162.3 |
435.5 |
963 |
164.3 |
437.5 |
2 |
161.6 |
434.8 |
963 |
163.6 |
436.8 |
|
|
|
|
|
|
Mean value |
161.0 |
435.2 |
963 |
164.0 |
437.2 |
Approximated accuracy of instrument: ± 0.3 K (at 373 K)
Normalization of the boiling point to Tn (BÜCHI M-565):
Tn = Tm . [1+(ln(1013/P)/11.3]
Tn boiling temperature in [K] at standard pressure (1013.25 hPa)
Tm measured boiling temperature in [K]
P atmospheric pressure in [hPa]
ln natural logarithm
The empirical value of 11.3 (see denominator of the formula above) is given by BÜCHI Corporation and results from the entropy of vaporization due to Clausius Clapeyron Equation adapted to the Pictet-Trouton-Law and applied to polar and nonpolar solvents.
Description of key information
Boiling point: 164 °C at 1013 hPa (OECD 103)
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 164 °C
Additional information
A boiling point value of 164°C at 1013 hPa was determined using an appropriate guideline method and is selected as the key study. This result is considered to be reliable.
The key result is supported by a predicted boiling point of 150°C at 1013 hPa which was obtained for the substance using a validated QSAR estimation method. The result is considered to be reliable.
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