reaction mass of [(1R*,5S*)-3,3,5-trimethylcyclohexyl] acetate and [(1S*,5S*)-3,3,5-trimethylcyclohexyl] acetate

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

25-Sep-2013 to 14-Nov-2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

GLP compliance:

no

Type of method:

dynamic method

Key result

Temp.:

20 °C

Vapour pressure:

36.87 Pa

Key result

Temp.:

25 °C

Vapour pressure:

51.43 Pa

Key result

Temp.:

50 °C

Vapour pressure:

232.72 Pa

Results

 

Measurement results of vapour pressure at various temperatures

Sample name	Temperature		Vapour pressure		Condition
	°C	K	Pa	mmHg
[test item]	52	325	267	2	Measured up
	75	348	800	6	Measured up
	80	353	1067	8	Measured up
	90	363	1733	13	Measured up
	100	373	2666	20	Measured up
	108	381	3600	27	Measured up
	110	383	3866	29	Measured up
	105	378	3066	23	Measured down
	94	367	2133	16	Measured down
	82	355	1200	9	Measured down
	78	351	933	7	Measured down
	60	333	400	3	Measured down

 

The constants A and B of the Antoine equation were calculated from the measured data points of points of the vapour pressure curve.

 

Antoine equation: Log P = A+ B*1/(T)

P: Vapour pressure in Pa

T: Temperature in K

A = 10.182

B = -2524.3

 

The vapour pressure of [test item] was calculated by extrapolation of the measured vapour pressure curve for the temperatures 20 °C, 25 °C and 50 °C.

 

Estimated vapour pressure

	Temperature		Vapour pressure
Sample name	°C	K	Pa	mmHg
[test item]	20	293	36.87	0.3
	25	298	51.43	0.4
	50	323	232.72	1.7

Note: Temperature in Kelvin (K) = Temperature in °C + 273.15 

 

Conclusion

The vapour pressure of [test item] was 36.87 Pa at 20 °C (293 K), 51.43 Pa at 25 °C (298 K) and 232.72 Pa at 50 °C (323 K) (calculated by extrapolation of the measured vapour pressure curve). Reaction and/or decomposition of the test material was not observed during the test.

Conclusions:

Vapour pressure values of 36.87 Pa (at 20 °C), 51.43 Pa (at 25 °C) and 232.72 Pa (at 50 °C) were determined for the test substance according to OECD 104.

Description of key information

Vapour pressure: 36.87 Pa at 20 °C (OECD 104, dynamic method)

Key value for chemical safety assessment

Vapour pressure:

36.87 Pa

at the temperature of:

20 °C

Additional information

Vapour pressure values of 36.87 Pa (at 20 °C), 51.43 Pa (at 25 °C) and 232.72 Pa (at 50 °C) were determined for the test substance according to OECD 104.