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Vapour pressure

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Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Study period:
2017-04-11
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
GLP compliance:
not specified
Type of method:
other: QSAr prediction model MPBPWIN MPBPWIN is provided by the Estimation Programs Interface (EPI) SuiteTM which is developed by the US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC).
Key result
Temp.:
25 °C
Vapour pressure:
0.76 Pa
Remarks on result:
other: This is litterature value.
Remarks:
Experimental - Literature ref: DAUBERT,TE & DANNER,RP (1991)

The vapour pressure is either calculated or found in literature for each substance.

Experimental values shall be used over estimated.

 

The vapour pressure result is dependent of the boiling point and for Capa 3022 is the boiling point not distinct so an interval, 200-450 °C has been reported. There is no possibility to separate the different components of Capa 3022 to analyse the correct boiling point so the calculations have been done using the vapour pressure 250 °C, which is in the lower range, and the estimated boiling point from MPBPVP, a higher boiling point, which is given at calculation.

  

Diethylene glycol

 
  Vapour pressure (Pa) 
 Experimental - Literature ref: DAUBERT,TE & DANNER,RP (1991)  0.76 Pa @ 25 deg C
Calculated - MPBPWIN v1.43 (Modified Grain method)Using BP:245.8deg C   0.341 Pa @ 25 deg C
Calculated - MPBPWIN v1.43 (Antione method)Using BP:245.8deg C   0.368 Pa @ 25 deg C
Reported value(experimental value)   0.76Pa @ 25 deg C
 
 Diethylene glycol + 1 ECL   
   Vapour pressure (Pa)
Calculated - MPBPWIN v1.43 (Modified Grain method)Using BP: 200.00 deg C 0.275 Pa @ 25 deg C BP 250°C0.000222 Pa @ 25 deg C BP 343°C (estimated) 0.275 Pa @ 25 deg C BP 250°C0.000222 Pa @ 25 deg C BP 343°C (estimated) 
 Calculated - MPBPWIN v1.43 (Antione method)Using BP: 200.00 deg C 0.26Pa @ 25 deg C0.000523 Pa @ 25 deg C BP 343°C (estimated) 

 Diethylene glycol + 2ECL    
   Vapour pressure (Pa)
 Calculated - MPBPWIN v1.43 (Modified Grain method)Using BP: 260.00 deg C  0.136 Pa @ 25 deg C1.7E-007 Pa @ 25 deg C BP 422°C (estimated)
Calculated - MPBPWIN v1.43 (Antione method)Using BP: 260.00 deg C  0.137 Pa @ 25 deg C2.12E-006 Pa @ 25 deg C BP 422°C (estimated) 

Conclution:

The vapour pressure is estimated for the monomer diethylene glycol and for the smallest reaction products (Diethylene glycol + 1 ECL and Diethylene glycol + 2 ECL). The other monomer.e-Caprolactone, was not found in the product so no estimation of vapour pressure were done fore-Caprolactone.

Substances with this low vapour pressure are not very likely to vaporize and become airborne.

Conclusions:
Vapor pressure for ε-Caprolactone, oligomeric reaction products with 2,2'-oxydiethanol is 0.76 Pa @ 25°C. The litterature value should be used over calculated values.
Executive summary:

Vapor pressure for ε-Caprolactone, oligomeric reaction products with 2,2'-oxydiethanol is 0.76 Pa @ 25°C.

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
28 August- 18 September 2017
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:
effusion method: Knudsen cell
Specific details on test material used for the study:
Storage conditions: Room Temperature (20 ± 5°C), closed container, dry and well-ventilated area
Test material apperance:viscous, colorless liquid
Key result
Temp.:
20 °C
Vapour pressure:
0 Pa
Key result
Temp.:
25 °C
Vapour pressure:
0 Pa
Conclusions:
The Vapour pressure of the test item was determined to be 1.20 * 10-04 Pa @ 20° and 2.12 * 10-04 Pa @ 25°C.
Executive summary:

The vapour pressure of ε-Caprolactone, oligomeric reaction products with 2,2'-oxydiethanol was determined according to OECD 104 resp.EU A.4 using the effusion method (weight loss).

Vapour pressure was examined at six different temperatures. Three temperatures could be evaluated as they showed reproducible weight loss. For these temperatures, 1/T was plotted against log (p).

For the test itemε-Caprolactone, oligomeric reaction products with 2,2'-oxydiethanol, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:

Vapour pressure at 20 °C:          1.20* 10-04Pa

Vapour pressure at 25 °C:          2.12* 10-04Pa



Description of key information

The vapour pressure of ε-Caprolactone, oligomeric reaction products with 2,2'-oxydiethanol was determined according to OECD 104 resp.EU A.4 using the effusion method (weight loss).

Vapour pressure was examined at six different temperatures. Three temperatures could be evaluated as they showed reproducible weight loss. For these temperatures, 1/T was plotted against log (p).

For the test item ε-Caprolactone, oligomeric reaction products with 2,2'-oxydiethanol, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:

Vapour pressure at 20 °C:          0,00012 Pa

Vapour pressure at 25 °C:          0,000212 Pa

Vapor pressure for ε-Caprolactone, oligomeric reaction products with 2,2'-oxydiethanol is 0.76 Pa @ 25°C.

Key value for chemical safety assessment

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

Additional information