3-(heptyloxy)propane-1,2-diol

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

31 March 2020 - 12 May 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Version / remarks:

2006

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7950 (Vapor Pressure)

Version / remarks:

1996

Deviations:

no

GLP compliance:

yes

Type of method:

effusion method: isothermal thermogravimetry

Test material

Test material information

Constituent 1

Reference substance name:

3-(heptyloxy)propane-1,2-diol

Cas Number:

10305-39-2

Molecular formula:

C10H22O3

IUPAC Name:

3-(heptyloxy)propane-1,2-diol

Test material form:

liquid

Details on test material:

Physical Description: Clear slightly yellow liquid
Storage Conditions: At room temperature protected from light
Stability at higher temperatures: Yes, maximum temperature: 90°C, maximum duration: 120 minutes

Specific details on test material used for the study:

Boiling point: 289.2°C

Results and discussion

Vapour pressure

Vapour pressure 1

Key result

Temp.:

20 °C

Vapour pressure:

>= 0.007 - <= 0.018 Pa

Vapour pressure 2

Key result

Temp.:

25 °C

Vapour pressure:

>= 0.016 - <= 0.034 Pa

Any other information on results incl. tables

Table: Results of the vapour pressure isothermal TGA analysis (substance)

Experiment	Temperature [°C]	Weight loss [µg/min]	νT [g/cm^2/h]	logνT	logPT	PT [Pa]
1	60	1.01037	1.21E-4	-3.92	0.22	1.6
	70	2.27898	2.72E-4	-3.57	0.61	4.1
	80	5.29704	6.32E-4	-3.20	1.03	11
2	60	1.02679	1.23E-4	-3.91	0.23	1.7
	70	3.34482	3.99E-4	-3.40	0.80	6.3
	80	7.77466	9.28E-4	-3.03	1.21	16
3	60	1.49598	1.79E-4	-3.75	0.41	2.6
	70	3.98416	4.76E-4	-3.32	0.89	7.7
	80	9.65123	1.15E-3	-2.94	1.32	21

The equation of the curve from the plot of the log P_T of the test item as function of the reciprocal temperature obtained from experimental 1:

log P_T= -4754´1/T + 14.48 (r = 0.9996, n = 3)

The equation of the curve from the plot of the log P_Tof the test item as function of the reciprocal temperature obtained from experimental 2:

log P_T= -5819´1/T + 17.71 (r = 0.996, n = 3)

The equation of the curve from the plot of the log P_Tof the test item as function of the reciprocal temperature obtained from experimental 3:

log P_T= -5353´1/T + 16.48 (r = 0.9999, n = 3)

Applicant's summary and conclusion

Conclusions:

The vapour pressure of the substance at 20°C was determined to be in the range from 7.3E-3 to 1.8E-2 Pa. The vapour pressure of the substance at 25°C was determined to be in the range from 1.6E-2 - 3.4E-2 Pa.

Executive summary:

The vapour pressure of the substance was determined using the isothermal thermogravimetric effusion method in a GLP study based on EC A.4, OECD 104 and OPPTS 830.7950. Validation of the method was performed using a set of five reference substances.

For each of three experiments a vapour pressure curve (log P_T as function of 1/T; with T in K) was constructed from test substance weight losses measured at 60°C, 70°C and 80°C. The vapour pressure of the substance at 20°C and 25°C was calculated from each vapour pressure curve and finally reported as a range.

The vapour pressure of the substance at 20°C was determined to be in the range from 7.3E-3 to 1.8E-2 Pa.  

The vapour pressure of the substance at 25°C was determined to be in the range from 1.6E-2 to 3.4E-2 Pa.