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Physical & Chemical properties

Vapour pressure

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Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2015-09-14 to 2016-01-14
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline 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)
Type of method:
isoteniscope
Key result
Temp.:
25 °C
Vapour pressure:
397 Pa
Remarks on result:
other: Mean of 3 runs
Key result
Temp.:
20 °C
Vapour pressure:
299 Pa
Remarks on result:
other: Mean of 3 runs
Transition / decomposition:
no
Remarks on result:
other:
Remarks:
The test item did not change in appearance during testing

Summary of results

Run

Log10Vapor Pressure
 at 25 ºC (Pa)

Log10Vapor Pressure
 at 20 ºC (Pa)

1

2.533

2.404

2

2.654

2.532

3

2.611

2.488

Mean

2.599

2.475

Vapor Pressure (Pa)

397

299

The test item did not change in appearance during testing.

Conclusions:
In a reliable and conclusive study according to OECD TG 104, vapor pressure of the test item has been determined to be 397 Pa at 25°C and 299 Pa at 20°C.
Executive summary:

The vapour pressure of the test item was determined according to the OECD TG 104. Three runs were made.

The vapor pressure of the test item has been determined to be 397 Pa at 25°C and 299 Pa at 20°C.

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
1993
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Principles of method if other than guideline:
Apparatus: all-glass, dynamic recirculating still decribed by Walas SM in 1985, attached to a Cottrell pump.
The still was suitable for pressures from 0.25 to 400 kPa, and temperatures up to 523.15 K. With the Cottrell pump liquid and vapour phases are kept in close contact and also with the temperature-sensing element. A digital Fisher thermometer (accuracy 0.1 K) was used to measure the equilibrium temperature T.
The pressure P was measured with adigital manometer(accuracy 0.01 kPa).The same recirculating still was used to measure the vapour pressures of the pure components.
Method: The pressure was fixed and the heating and shaking system of the liquid was connected. To ensure the stationary state, the boiling point was kept for 15 min. After is was sure that stationary state was kept, a sample of liquid and vapour were taken of the Cottrell pump.
Special syringes, which allowed to take reduced volume samples in a system in partial vacuum were used for the extractions.
Samples of 3 µL were withdrawn from the condensed vapor and liquid streams of the still, and were analyzed with a Hewlett Packard 5710 A GC with a thermal-conductivity detector. GC response peaks were integrated by using a Hewlett 3394 A integrator. The GC column used was packed with 25% of UCON LB 550X upon Chrom W(80/100), of 2 m length and 1/8-in. diameter. Chromatographic analysis were carried out at the following conditions:
Temperature: 120°C; gas carrier: helium, 20 cm3/min.
The GC was calibrated with gravimetrically prepared standard solutions. With repeated measurements the standard deviation was less than 0.001 mole fraction. At least two analyses were made of each liquid and each vapor sample.

GLP compliance:
no
Other quality assurance:
other: no information
Type of method:
other: vapor-liquid equilibrium by a dynamic equilibrium method
Specific details on test material used for the study:
Cyclohexanol high purity grade (>99.9%) from the Proquimed Co. and 4-Methylcyclohexanone from Merck (>99.0%). Purity checked by GC.
Temp.:
339.15 K
Vapour pressure:
2.72 kPa
Temp.:
444.55 K
Vapour pressure:
102.39 kPa

Temperature range for measuring the Vapor pressure was 339.15 K ( = 66.0°C) to 444.55 K (= 171.4°C).

Table: Vapor Pressure Pi, for Test substance versus Temperature:

Pi (kPa)

T (K)

2.72

339.15

4.69

350.45

6.17

356.85

7.22

360.65

9.16

366.55

11.02

371.45

15.98

381.55

24.15

393.85

35.10

405.65

42.75

412.05

52.08

418.95

59.76

423.95

71.96

430.65

79.42

434.55

89.35

439.05

102.39

444.55

 

Conclusions:
The vapour pressure of 4-Methylcyclohexanone at 20°C was evaluated by the Registrant using the reported Antoine equation, and determined to be 173.4 Pa.

Description of key information

Two studies are available reporting vapour pressure for 4 -methylcyclohexanone:

299 Pa at 20°C, OECD TG 104, O'Connor 2016

173.4 Pa at 20°C, calculated, no guideline, Aucejo 1993

The more recent study conducted under GLP (O'Connor, 2016) was used as the key study and taken forward for the purposes of risk assessment.

Key value for chemical safety assessment

Vapour pressure:
397 Pa
at the temperature of:
25 °C

Additional information

Vapour pressure in literature:

at 339.15 K (66°C) = 2.72 kPa and

at 444.55 K (171.4°C) = 102.39 kPa