Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 240-539-0 | CAS number: 16484-77-8
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 02 February 1999 to 22 June 1999
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- method according to Siwoloboff
- Key result
- Atm. press.:
- 1 026 mBar
- Decomposition:
- yes
- Decomp. temp.:
- ca. 240 °C
- Remarks on result:
- not determinable
- Conclusions:
- Under the conditions of the study, the boiling temperature of the test material was not determinable, as the test material decomposed at temperatures above 240 °C without boiling.
- Executive summary:
The boiling point of the test material was assessed according to OECD test Guideline 103 and EU Method A.2. and in compliance with GLP using the Siwoloboff method.
A boiling tube (3.2 mm diameter) was filled with the sample and heated until liquid. A boiling capillary was then immersed, open end first.
Observations were then recorded as the temperature of the sample was raised.
As the temperature increased, the sample was observed to darken slightly at 240 °C and then turn an amber colour at 280 °C, indicating decomposition. No sign of boiling was noted.
Under the conditions of the study, the boiling temperature of the test material was not determinable, as the test material decomposed at temperatures above 240 °C without boiling.
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 11 April 1990 to 20 August 1990
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point/Boiling Range)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EPA FIFRA Subdivision D § 63-6
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- other: Capillary tube method.
- Key result
- Boiling pt.:
- >= 283 - <= 289 °C
- Decomposition:
- yes
- Remarks:
- As heating was continued beyond the melting point of the test material the clear, light brown liquid continually darkened in colour indicating decomposition.
- Remarks on result:
- other: Atmospheric pressure not specified.
- Conclusions:
- Under the conditions of the study the boiling point was calculated to be 556 K (283 °C) using McGowan's [P] value, or 562 K (289 °C) using Sugden's [P] value.
- Executive summary:
The boiling point was assessed according to OECD Method 103 and in compliance with GLP using a capilliary method.
It was not possible to determine the boiling point using a capillary method, since the test material appears to decompose at temperatures above its melting point. Instead several calculation methods were used.
Under the conditions of the study the boiling point was calculated to be 556 K (283 °C) using McGowan's [P] value, or 562 K (289 °C) using Sugden's [P] value.
- Endpoint:
- boiling point
- Remarks:
- exothermic/endothermic effects
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- October - November 1994
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The boiling point was investigated using differential scanning calorimetry.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- differential scanning calorimetry
- Key result
- Decomposition:
- yes
- Decomp. temp.:
- ca. 280 °C
- Remarks on result:
- other: Atmospheric presure not specified.
- Conclusions:
- Under the conditions of the study a strong exothermic effect is observed at 280 ºC which is interpreted as decomposition. There is no endothermic effect which is unrelated to the melting point. Therefore, sublimation or boiling of the test material can be excluded.
- Executive summary:
The boiling point of the test material was assessed using Differential Scanning Calorimetry (DSC) in compliance with GLP.
A melting curve was registrated from 60 °C to 360 °C with a heating rate of 10K/min (sample weight = 3.48 mg).
Under the conditions of the study a strong exothermic effect is observed at 280 ºC which is interpreted as decomposition. There is no endothermic effect which is unrelated to the melting point. Therefore, sublimation or boiling of the test material can be excluded.
Referenceopen allclose all
Barometric pressure: 1026 mbar
As the temperature increased, the sample was observed to darken slightly at 240 °C and then turn an amber colour at 280 °C, indicating decomposition. No sign of boiling was noted.
As heating was continued beyond the melting point of the test material the clear, light brown liquid continually darkened in colour indicating decomposition.
Thus the boiling point was not determinable since the test material appears to decompose at temperatures above its melting point. It is possible to estimate the theoretical boiling point of the test material based on its structure. The method described by Meissner is based on the correlation of the normal boiling point with chemical type; molar refraction (RD) and parachor (P) are used as variables in the correlation:
Tb = (637[RD]^1.47 + BP) / [P]
Where:
B is a constant whose value depends upon the chemical type.
RD:
10 carbons = 10 (2.418) = 24.180
11 hydrogens = 11 (1.100) = 12.100
1 oxygen (hydroxyl) = 1 (1.525) = 1.525
1 oxygen (ether) = 1 (1.643) = 1.643
1 oxygen (carbonyl) 1 chlorine = 1 (2.211) = 2.211
1 chlorine = 1 (5967) = 5.967
1 six-membered ring = 1 (0) = 0
3 double bonds =3 (1.733) = 5.199
RD = 52.825
P (McGowan’s Method)
10 carbons = 10 (47.6) = 476.0
11 hydrogens = 11 (24.7) = 271.7
3 oxygens = 3 (36.2) = 108.6
1 chlorine = 1 (62.0) = 62.0
P = 918.3
The test material has 25 bonds in the compound
P = 918.3 – 25 (19)
= 443.3
P (Sugden’s Method)
10 carbons = 10 (9.2) = 92.0
10 hydrocarbons bonded to carbon = 10 (15.4) = 154.0
1 hydrogen bonded to oxygen = 1 (10.0) = 10.0
1 oxygen (hydroxyl) = 1 (20.0) = 20.0
1 oxygen (ether) = 1 (20) = 20.0
1 oxygen (carbonyl) = 1 (39.0) = 39.0
1 chloride = 1 (55.0) = (55.0)
1 six-membered ring = 1 (0.8) = 0.8
3 double bonds = 3 (19.0) = 57
Strains:
(RCOOH) = 1 (-3) = -3.0
(1-R3CCl) = 1 (-6.0) = -6.0
P = -438
B:
The test material has the following relative functional groups:
Monocarboxylic acid = 28 000
Ether = 4 000
Aromatic hydrocarbon = -2 500
B = -29 500
Tb was calculated to be 556 K (283 °C) using McGowan's [P] value, or 562 K (289 °C) using Sugden's [P] value.
A melting curve was registrated from 60 °C to 360 °C with a heating rate of 10K/min (sample weight = 3.48 mg).
At 280 ºC a strong exothermic effect is observed which is interpreted as decomposition.
There is no endothermic effect which is unrelated to the melting point. Therefore, sublimation or boiling of the test material can be excluded.
Description of key information
Comb (2000b)
Under the conditions of the study, the boiling temperature of the test material was not determinable, as the test material decomposed at temperatures above 240 °C without boiling.
O'Connor (1990)
Under the conditions of the study the boiling point was calculated to be 556 K (283 °C) using McGowan's [P] value, or 562 K (289 °C) using Sugden's [P] value.
Türk (1994)
Under the conditions of the study a strong exothermic effect is observed at 280 ºC which is interpreted as decomposition. There is no endothermic effect which is unrelated to the melting point. Therefore, sublimation or boiling of the test material can be excluded.
Key value for chemical safety assessment
Additional information
Comb (2000b)
The boiling point of the test material was assessed according to OECD test Guideline 103 and EU Method A.2. and in compliance with GLP using the Siwoloboff method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
A boiling tube (3.2 mm diameter) was filled with the sample and heated until liquid. A boiling capillary was then immersed, open end first.
Observations were then recorded as the temperature of the sample was raised.
As the temperature increased, the sample was observed to darken slightly at 240 °C and then turn an amber colour at 280 °C, indicating decomposition. No sign of boiling was noted.
Under the conditions of the study, the boiling temperature of the test material was not determinable, as the test material decomposed at temperatures above 240 °C without boiling.
O'Connor (1990)
The boiling point was assessed according to OECD Method 103 and in compliance with GLP using a capilliary method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
It was not possible to determine the boiling point using a capillary method, since the test material appears to decompose at temperatures above its melting point. Instead several calculation methods were used.
Under the conditions of the study the boiling point was calculated to be 556 K (283 °C) using McGowan's [P] value, or 562 K (289 °C) using Sugden's [P] value.
Türk (1994)
The boiling point of the test material was assessed using Differential Scanning Calorimetry (DSC) in compliance with GLP. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
A melting curve was registrated from 60 °C to 360 °C with a heating rate of 10K/min (sample weight = 3.48 mg).
Under the conditions of the study a strong exothermic effect is observed at 280 ºC which is interpreted as decomposition. There is no endothermic effect which is unrelated to the melting point. Therefore, sublimation or boiling of the test material can be excluded.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
