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EC number: 947-719-4 | CAS number: -
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-03-03
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- GLP compliance:
- yes
- Type of method:
- differential scanning calorimetry
- Specific details on test material used for the study:
- Batch No. 121015
Expiry date: 2018-09-30
Appearance, colour: Grey/white-pink paste - Boiling pt.:
- 88 °C
- Atm. press.:
- 1 000 mBar
- Decomposition:
- ambiguous
- Decomp. temp.:
- 88 °C
- Conclusions:
- The test item shows a boiling and/or thermal decomposition from 88 °C (at 1000 mBar).
- Executive summary:
The boiling point was determined according to EU Method A.2. The test item shows a boiling and/or thermal decomposition from 88 °C (at 1000 mBar).
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018-04-26
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- - Software tool(s) used including version: Estimation Programs Interface Suite™ for Microsoft® Windows v 4.00. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- Model(s) used: MPBPVP (v1.43)
- Model description: see field 'Justification for non-standard information', 'Attached justification' and/or 'Cross-reference'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'Cross-reference' - GLP compliance:
- no
- Type of method:
- other: Estimation
- Boiling pt.:
- 476.9 °C
- Atm. press.:
- 101.3 kPa
- Remarks on result:
- other: dipotassium butylphosphate
- Boiling pt.:
- 480 °C
- Atm. press.:
- 101.3 kPa
- Remarks on result:
- other: potassium dibutylphosphate
- Conclusions:
- The estimated boiling points were 476.9 °C (dipotassium butyl phosphate) and 480.0 °C (potassium dibutyl phosphate).
- Executive summary:
The boiling point of the two main constituents was estimated using MPBPVP v 1.43. The estimated boiling points were 476.9 °C (dipotassium butyl phosphate) and 480.0 °C (potassium dibutyl phosphate). It is likely that decomposition will occur before these main constituents begin to boil.
Referenceopen allclose all
Representative DSC and TGA traces attached.
Phosphoric acid, monobutyl ester, dipotassium salt
-------+-----+--------------------+----------+---------
TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 1 | -CH3 | 21.98 | 21.98
Group | 3 | -CH2- | 24.22 | 72.66
Group | 3 | -O- (nonring) | 25.16 | 75.48
Group | 1 | O=P< | 107.23 | 107.23
Group | 1 | Metal (Na,K,Li) | 500.00 | 500.00
* | | Equation Constant | | 198.18
=============+====================+==========+=========
RESULT-uncorr| BOILING POINT in deg Kelvin | 975.53
RESULT- corr | BOILING POINT in deg Kelvin | 750.08
| BOILING POINT in deg C | 476.92
-------------------------------------------------------
Phosphoric acid, dibutyl ester, potassium salt
-------+-----+--------------------+----------+---------
TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 2 | -CH3 | 21.98 | 43.96
Group | 6 | -CH2- | 24.22 | 145.32
Group | 3 | -O- (nonring) | 25.16 | 75.48
Group | 1 | O=P< | 107.23 | 107.23
Group | 1 | Metal (Na,K,Li) | 500.00 | 500.00
* | | Equation Constant | | 198.18
=============+====================+==========+=========
RESULT-uncorr| BOILING POINT in deg Kelvin | 1070.17
RESULT- corr | BOILING POINT in deg Kelvin | 795.42
Special-Limit| BOILING POINT in deg Kelvin | 753.16
| BOILING POINT in deg C | 480.00
-------------------------------------------------------
Description of key information
The estimated boiling points were 476.9 °C (dipotassium butyl phosphate) and 480.0 °C (potassium dibutyl phosphate).
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 476.9 °C
Additional information
The boiling point was determined according to EU Method A.2. The test item shows a boiling and/or thermal decomposition from 88 °C (at 1000 mBar). This boiling point is not consistent with the reported melting point and is likely to be due to the presence of a minor impurity, rather than representative of the main constituents. For this reason the boiling point of the two main constituents was estimated using MPBPVP v 1.43. The estimated boiling points were 476.9 °C (dipotassium butyl phosphate) and 480 25 °C (potassium dibutyl phosphate). It is likely that decomposition will occur before these main constituents begin to boil.
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