(S)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2013

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Study well performed according to international guidelines but not under GLP conditions

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

yes

Remarks:

Accuracy of the method was determined to be ± 1.0K while the OECD method indicates ±0.5K. This was considered as a minor deviation especially because a BP range was provided.

GLP compliance:

no

Type of method:

differential scanning calorimetry

Boiling pt.:

>= 206 - <= 222.5 °C

Atm. press.:

101 325 Pa

Decomposition:

no

Remarks on result:

other: Maximum of boiling : 2012.5±1.0°C

Measured values:

4 sets of measurements were carried out:

	Onset point (K)	Maximum boiling (K)	Endset (K)
N1	479.1	485.9	495.3
N2	479.3	485.5	495.5
N3	480.2	486.2	496.7
N4	478.8	485.8	496.0
Mean	479.3	485.8	495.8
Ecart type	0.5220	0.2500	0.5403
Incertitude	1.0	0.5	1.1

 

 

 We observe an endothermic reaction which means the substance is being vaporized.

Corrected values:

Due to small deviations from the standard atmospheric pressure (less than ± 5kPa), measured values must be corrected.

 

The normal pressure is 101.325 kPa. The atmospheric pressure at the day of the 1^stmeasurement (N1) was 1010 hPa and was 1022 hPa at the day of the three other measurements (N2 – N4) which corresponds to a difference (Δp) of respectively of 0.325 kPa and 0.875 kPa

The rate of change (fT) of boiling temperature with pressure was 0.4 K/kPa

 

According to the Sidney Young equation, the correction factor was worked out to be:

0.4 x 0.325 = +0.13 K for the first measurement N1

0.4 x 0.875 = - 0.35 K for the 3 other measurements N2. N3 and N4

Corrected values in the table below according to the Sidney Young correction formula:

	Onset Point		Maximum boiling		Endset Point
	in K	in °C	in K	in °C	in K	in °C
N1	479.2	-	486.0	-	495.4	-
N2	478.9	-	485.1	-	495.1	-
N3	479.8	-	485.8	-	496.3	-
N4	478.4	-	485.4	-	495.6	-
Mean	479.1	206.0	485.6	212.5	495.6	222.5
Std. deviation	0.5068		0.3491		0.4416
Uncertainty	1.0		0.7		0.9

Conclusions:

The three data points describing this range after conversion to obtain normal boiling points by means of the Sydney Young equation are the following:
- Start of the boiling point range : 479.1 ±1.0K. or 206.0 ±1.0°C
- Maximum of boiling : 485.6 ±1.0K. or 212.5 ±1.0°C
- End of the boiling point : 495.6±1.0K.or 222.5 ±1.0°C

Executive summary:

The determination of the boiling point range was performed in accordance with OECD Guideline No 103 “Boiling Point” (July 1995). The Differential Scanning Calorimetry (DSC) method was used.

 

Since the test item is a multiconstituent and is not pure, a boiling point range is best to characterize it. The three data points describing this range after conversion to obtain normal boiling points by means of the Sydney Young equation are the following:

-         Start of the boiling point range : 479.1 ±1.0K. or 206.0 ±1.0°C

-         Maximum of boiling : 485.6 ±1.0K. or 212.5 ±1.0°C

-         End of the boiling point : 495.6±1.0K.or 222.5 ±1.0°C

Description of key information

Since the test item is a multiconstituent and is not pure, a boiling point range is best to characterize it. The three data points describing this range after conversion to obtain normal boiling points by means of the Sydney Young equation are the following:

-         Start of the boiling point range : 479.1 ±1.0K. or 206.0 ±1.0°C

-         Maximum of boiling : 485.6 ±1.0K. or 212.5 ±1.0°C

-         End of the boiling point : 495.6±1.0K.or 222.5 ±1.0°C

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

206 °C