Reaction mass of (4R)-isopropenyl-1-methylcyclohexene and (4S)-isopropenyl-1-methylcyclohexene and 1-isopropyl-4-methylcyclohexa-1,3-diene and 1-isopropyl-4-methylcyclohexa-1,4-diene and 4-isopropylidene-1-methylcyclohexene

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

August 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 same study

Reason / purpose for cross-reference:

reference to other 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:

static method

Test no.:

#1

Temp.:

293.15 K

Vapour pressure:

ca. 147 Pa

Remarks on result:

other: First trial

Test no.:

#1

Temp.:

298.15 K

Vapour pressure:

ca. 191 Pa

Remarks on result:

other: First trial

Test no.:

#2

Temp.:

293.15 K

Vapour pressure:

ca. 106 Pa

Remarks on result:

other: Second trial

Test no.:

#2

Temp.:

298.15 K

Vapour pressure:

ca. 145 Pa

Remarks on result:

other: Second trial

Test no.:

#3

Temp.:

293.15 K

Vapour pressure:

105 Pa

Remarks on result:

other: Third trial

Test no.:

#3

Temp.:

298.15 K

Vapour pressure:

144 Pa

Remarks on result:

other: Third trial

Key result

Temp.:

293.15 K

Vapour pressure:

ca. 106 Pa

Remarks on result:

other: Mean

Key result

Temp.:

298.15 K

Vapour pressure:

ca. 145 Pa

Remarks on result:

other: Mean

First trial:

Vapour Pressure (Pa)	Time (hh:mn)	Corresponding Temperature (°C)	Temperature (K)	1/T (K^-1)	Log10(p)
174	11:00	23.5	296,65	3,371E-03	2.241
199	12:40	25.6	298.75	3,347E-03	2.299
224	14:15	27.8	300.95	3,323E-03	2.350
240	15:30	30.0	303.15	3,299E-03	2.380
275	16:40	32.4	305.55	3,272787E-03	2,439

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              -1954.8 

Intercept          8.8367 

R²                   0.9905

 

The results obtained indicate the following vapour pressure relationship: 

Log₁₀(p (Pa)) = -1954.8 / T (K) +8.8367

 

The above equation yields a vapour pressure of 147 Pa at 293.15 K and 191 Pa at 298.15 K.

Second trial:

Vapour Pressure (Pa)	Time (hh:mn)	Corresponding Temperature (°C)	Temperature (K)	1/T (K^-1)	Log10(p)
132	11:40	23.6	296.75	3.370E-03	2.121
152	14:00	25.8	298.95	3.345E-03	2.182
174	15:40	27.9	301.05	3.322E-03	2.241
196	17:00	30.1	303.25	3.298E-03	2.292
224	18:15	32.3	305.45	3.274E-03	2.350

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              -2380.1

Intercept          10.143 

R²                   0.9994

 

The results obtained indicate the following vapour pressure relationship:

Log₁₀(p (Pa)) = -2380.1/ T (K) +10.143

 

The above equation yields a vapour pressure of 106 Pa at 293.15 K and 145 Pa at 298.15 K.

Third trial:

Vapour Pressure (Pa)	Time (hh:mn)	Corresponding Temperature (°C)	Temperature (K)	1/T (K^-1)	Log10(p)
130	11:00	23.5	296.65	3.371E-03	2.114
150	12:30	25.6	298.75	3.347E-03	2.176
171	14:30	27.8	300.95	3.323E-03	2.233
197	16:30	30.2	303.35	3.297E-03	2.294
221	17:50	32.3	305.45	3.274E-03	2.344

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              -2364.4

Intercept          10.087 

R²                   0.9991

 

The results obtained indicate the following vapour pressure relationship:

Log₁₀(p (Pa)) = -2364.4/ T (K) +10.087

 

The above equation yields a vapour pressure of 105 Pa at 293.15 K and 144 Pa at 298.15 K.

Conclusions:

Using the static method according to guideline OECD 104 and method EU A.4, vapour pressure of REACTION MASS OF DL-LIMONENE, ALPHA-GAMMA-TERPINENES, TERPINOLENE is 106 Pa at 20°C and 145 Pa at 25°C.

Executive summary:

A study was performed to determine the vapour pressure of test item REACTION MASS OF DL-LIMONENE, ALPHA-GAMMA-TERPINENES, TERPINOLENE. 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 analytical method, the vapour pressure of the test item at thermodynamic equilibrium was determined at various specified temperatures (from 24 to 32°C).

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.

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

Log₁₀ (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).

As trials 1 and 2 did not respect validity criteria (The difference between the two determinations at 25°C has to be less than 20%), a third 3 trials has been performed.

Values of trials 2 and 3 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 REACTION MASS OF DL-LIMONENE, ALPHA-GAMMA-TERPINENES, TERPINOLENE is 106 Pa at 20°C and 145 Pa at 25°C.

Description of key information

Vapour pressure of dipentene multiconstituent was determined using the static method (15 individual measurements): 
106 Pa at 20°C
145 Pa at 25°C

Key value for chemical safety assessment

Vapour pressure:

106 Pa

at the temperature of:

20 °C

Additional information

A study was conducted according to OECD 104 and EU A.4 guidelines to measure the vapour pressure of dipentene multiconstituent. As the results were obtained under GLP without deviation, they were considered as valid and reliable without restriction and used to propose a key value.

This result is supported by consistent experimental data obtained with one main constituent of the substance, d-limonene.