Reactionmass of octan-2-yl prop-2-enoate and octan-3-yl prop-2-enoate and octan-4-yl prop-2-enoate

Boiling point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

21 Nov 2013

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

other: ASTM D1120-94 “Standard Test Method for Boiling Point of Engine Coolants"

GLP compliance:

no

Type of method:

dynamic method

Key result

Boiling pt.:

217.6 °C

Atm. press.:

760 mm Hg

Remarks on result:

other: Extrapolated from pressure-temperature regression in linked vapor pressure study

Conclusions:

MTDID 44428 has a boiling point 217.6 °C at 760 mmHg (ASTM D1120-94).

Executive summary:

The boiling point of MTDID 44428 was determined the dynamic test method. The normal boiling point was extrapolated from vapor pressure-temperature data reported elsewhere in this dossier. The vapor pressure study was performed in accordance with a guideline study but not GLP compliant. Therefore, the study is considered reliable with restrictions.

Reference 2

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

disregarded due to major methodological deficiencies

Study period:

19-30 Apr 2019

Reliability:

3 (not reliable)

Rationale for reliability incl. deficiencies:

unsuitable test system

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

GLP compliance:

yes (incl. QA statement)

Type of method:

method according to Siwoloboff

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source (i.e. manufacturer or supplier) and lot/batch number of test material:
41-4205-7138-6 (R-57318), CPDC Load ID S352546
- Purity: 99.7%
- Expiration date: 01 May 2020

Key result

Boiling pt.:

314.4 °C

Atm. press.:

101.5 kPa

The test material formed the first bubbles when heated to 228.7 °C at 101.5 kPa. The test material began to form continuous bubbles at 314.4 °C and 314.3 °C separately. The average temperature of forming continuous bubbles was 314.4 °C.

Conclusions:

The boiling point of MTDID 44428 was determined to be 314.4 °C at 101.5 kPa (OECD 103).

Executive summary:

The boiling point of MTDID 44428 was determined using the capillary method of Siwoloboff. Boiling point was determined from 218 °C and 323 °C using an automated BUCHI boiling point apparatus. The average temperature of forming continuous bubbles was 314.4 °C at 101.5 kPa. The bubble onset temperature measured in this experiment is in line with tabulated boiling points and similar substances reported elsewhere, while the continuous bubble temperature was considerably greater than the other values. Notably, the continuous bubble temperature is within one degree of the value for a much larger homologous acrylate (molecular weights, 184 v 240) while the bubble onset temperatures differed sharply. It should also be noted that an instantaneous, continuous bubble stream upon insertion of the capillary was found in both of the homologous acrylates during definitive testing at a temperature 10 degrees below the reported value, which necessitated reducing the starting temperature for the definitive tests. The reason for this phenomena is not known, and the continuous bubble temperature is the guideline interpretation of boiling point. A sharp boiling point is not expected for multi-constituent substances. The study was conducted according to OECD 103 guidelines and was GLP compliant. However, based on the available information the result appears to be an aberration and is not considered reliable.

Description of key information

MTDID 44428 has a boiling point 217.6 °C at 760 mmHg (ASTM D1120-94).

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

217.6 °C

Additional information

The boiling point of MTDID 44428 was determined the dynamic test method. The normal boiling point was extrapolated from vapor pressure-temperature data reported elsewhere in this dossier. The vapor pressure study was performed in accordance with a guideline study but not GLP compliant. Therefore, the study is considered reliable with restrictions.

A second study was conducted using the capillary method of Siwoloboff. Boiling point was determined from 218 °C and 323 °C using an automated BUCHI boiling point apparatus. The average temperature of forming continuous bubbles was 314.4 °C at 101.5 kPa. The bubble onset temperature measured in this experiment is in line with tabulated boiling points and similar substances reported elsewhere, while the continuous bubble temperature was considerably greater than the other values. Notably, the continuous bubble temperature is within one degree of the value for a much larger homologous acrylate (molecular weights, 184 v 240) while the bubble onset temperatures differed sharply. It should also be noted that an instantaneous, continuous bubble stream upon insertion of the capillary was found in both of the homologous acrylates during definitive testing at a temperature 10 degrees below the reported value, which necessitated reducing the starting temperature for the definitive tests. The reason for this phenomena is not known, and the continuous bubble temperature is the guideline interpretation of boiling point. A sharp boiling point is not expected for multi-constituent substances. However, based on the available information the result appears to be an aberration and is not considered reliable.