Nerol

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

June 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Study conducted according to OECD 104 and EU A.4 guidelines, under GLP without deviation and with certificate of analysis included.

Reason / purpose for cross-reference:

reference to other study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

2015-03-05

Type of method:

dynamic method

Remarks:

Knudsen Effusion Method

Test no.:

#1

Temp.:

293.15 K

Vapour pressure:

ca. 2.39 Pa

Remarks on result:

other: First trial

Test no.:

#1

Temp.:

298.15 K

Vapour pressure:

ca. 4.75 Pa

Remarks on result:

other: First trial

Test no.:

#2

Temp.:

293.15 K

Vapour pressure:

ca. 2.38 Pa

Remarks on result:

other: Second trial

Test no.:

#2

Temp.:

298.15 K

Vapour pressure:

ca. 4.53 Pa

Remarks on result:

other: Second trial

Key result

Temp.:

293.15 K

Vapour pressure:

ca. 2.39 Pa

Remarks on result:

other: Mean

Key result

Temp.:

298.15 K

Vapour pressure:

ca. 4.64 Pa

Remarks on result:

other: Mean

First trial:

Mass loss (mg)	Mass loss duration (s)	Vapour pressure (Pa)	Temperature (K)	1/T (K^-1)	Log10(p)
0.360	600	3.56	296,35	3,374E-03	0,5516
0.762	600	7.61	301.70	3,315E-03	0,8811
1.786	600	18.01	307.90	3,248E-03	1,2555
4.160	600	42.42	314.85	3,176E-03	1,6275
9.121	600	94.14	322.6	3,100E-03	1,9738

A plot of Log₁₀(p) versus reciprocal temperature (1/T) (with p in Pa and T in K) gives the following statistical data using an unweighted least square treatment.

Slope              -5213.1 

Intercept          18.162 

R²                   0.9982

 

The results obtained indicate the following vapour pressure relationship: 

Log₁₀(p (Pa)) = -5213.1 / T (K) +18.162

 

The above equation yields a vapour pressure of 2.39 Pa at 293.15 K and 4.75 Pa at 298.15 K.

Second trial:

Mass loss (mg)	Mass loss duration (s)	Vapour pressure (Pa)	Temperature (K)	1/T (K^-1)	Log10(p)
0.349	600	3.45	296,15	3,377E-03	0,5380
0.745	600	7.44	302.30	3,308E-03	0,8718
1.754	600	17.72	309.00	3,236E-03	1,2484
4.081	600	41.71	316.40	3,161E-03	1,6203
8.997	600	93.14	324.55	3,081E-03	1,9691

A plot of Log₁₀(p) versus reciprocal temperature (1/T) (with p in Pa and T in K) gives the following statistical data using an unweighted least square treatment.

Slope              -4886.9

Intercept          17.047 

R²                   0.9991

 

The results obtained indicate the following vapour pressure relationship:

Log₁₀(p (Pa)) = -4886.9/ T (K) +17.047

 

The above equation yields a vapour pressure of 2.38 Pa at 293.15 K and 4.53 Pa at 298.15 K.

Conclusions:

Using the Knudsen Effusion method according to guideline OECD 104 and method EU A.4, vapour pressure of NEROL is 2.39 Pa at 20°C and 4.64 Pa at 25°C were estimated for the test item.

Executive summary:

A study was performed to determine the vapour pressure of test item nerol. The method followed was designed to be compliant with the OECD Guideline for Testing of Chemicals No. 104, "Vapour Pressure", adopted in March, 2006 and Regulation (EC) No 761/2009, EC A4, 23 July 2009.

In this dynamic method, the mass of the test substance flowing out per unit of time of a Knudsen cell in the form of vapour, through a micro-orifice under ultra-vacuum conditions was determined at various specified temperatures (from 25 to 65°C). The Hertz-Knudsen equation was used to calculate the vapour pressure corresponding to the mass loss rate.

The Log₁₀ (Vapour Pressure (Pa)) was plotted against 1/T (K) and a linear function was obtained. With this equation, the vapour pressure has been calculated for temperatures of 20°C and 25°C.

Two trials were conducted and five points were recorded for each trial.

Log (Vapour Pressure (Pa)) was plotted against reciprocal temperature and values of vapour pressure were calculated at 20°C and 25°C with the linear function parameters (slope and intercept).

These values respect validity criteria (less than 20% of difference) and the linear functions obtained own a correlation coefficient R² over 0.95.

Moreover the calculated values showed good correspondence with the experimentally determined ones.

In conclusion, the vapour pressure of nerol is 2.39 Pa at 20°C and 4.64 Pa at 25°C.

Description of key information

The vapour pressure of nerol was determined with the knudsen effusion method.
The vapour pressure of nerol was 2.39 Pa at 20°C and 4.64 Pa at 25°C.

Key value for chemical safety assessment

Vapour pressure:

2.39 Pa

at the temperature of:

20 °C

Additional information

Key study was performed in order to determine the vapour pressure of nerol according to EU method A.4 and OECD 104 using a dynamic method (knudsen effusion method).

No observations were made which might cause doubts concerning the validity of the study outcome.

Therefore, the study is considered as reliable without restriction and the calculated vapour pressures at 20 and 25°C can be used as key values for chemical safety assessment.