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Vapour pressure

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Endpoint:
vapour pressure
Type of information:
not specified
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Recognised data source, considered as reliable, but raw data with no details.
Principles of method if other than guideline:
Not specified.
Temp.:
25 °C
Vapour pressure:
0.012 Pa

Vapor Pressure:

8.73X10-5 mm Hg at 25 deg C (extrapolated)

[Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data 6th ed., New York, NY: McGraw Hill (1984)] **PEER REVIEWED**

Conclusions:
Very low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), < 0.01 Pa).
Executive summary:

The HSDB database provides, as secondary source, physico-chemical data on the constituent.

The vapour pressure, cited from the Perry's handbook, is 12 mPa at 25°C.

Endpoint:
vapour pressure
Type of information:
not specified
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Recognised data source, considered as reliable, but raw data with no details.
Principles of method if other than guideline:
Not specified.
Temp.:
25 °C
Vapour pressure:
0 Pa

Vapor Pressure:

2.8X10-9 mm Hg at 25 deg C (extrapolated)

[Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. New York, NY: McGraw-Hill 6th ed (1984)] **PEER REVIEWED**

Conclusions:
Very low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), < 0.01 Pa).
Executive summary:

The HSDB database provides, as secondary source, physico-chemical data on the constituent.

The vapour pressure, cited from the Perry's handbook, is 0.00037 mPa at 25°C.

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
1. SOFTWARE
EPI Suite (US EPA)

2. MODEL (incl. version number)
MPBPWIN v1.43 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
oleyl palmitate (C16:0/C18:1): CCCCCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
generally acknowledged source

5. APPLICABILITY DOMAIN
The model is considered suitable for esters with MW < 1000 g/L.

6. ADEQUACY OF THE RESULT
The estimation is provided to demonstrate that low volatility is anticipated, based on magnitude of order.
Principles of method if other than guideline:
QSAR calculation
GLP compliance:
no
Temp.:
25 °C
Vapour pressure:
0 Pa

Vapor Pressure Estimations (25 deg C):

 (Using BP: 526.62 deg C (estimated))

 (Using MP: 208.23 deg C (estimated))

   VP:  3.59E-013 mm Hg (Antoine Method)

     :  4.78E-011 Pa  (Antoine Method)

   VP:  6.59E-011 mm Hg (Modified Grain Method)

     :  8.79E-009 Pa  (Modified Grain Method)

   VP:  1.9E-010 mm Hg (Mackay Method)

     :  2.53E-008 Pa  (Mackay Method)

 Selected VP:  6.59E-011 mm Hg (Modified Grain Method)

            :  8.79E-009 Pa (Modified Grain Method)

 Subcooled liquid VP:  5.79E-009 mm Hg (25 deg C, Mod-Grain method)

                    :  7.71E-007 Pa  (25 deg C, Mod-Grain method)

Conclusions:
Very low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), < 0.01 Pa).
Executive summary:

The vapour pressure of the constituent was modelled with the MBBPVP Vapour Pressure Estimation tool, which is part of the US EPA Episuite modelling tool box.

The ester was characterised with its SMILES code.

The predicted vapour pressure at 25 °C is very low, with 8.79 x 10 -6 mPa.

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Recognised data source, considered as reliable, but raw data with no details.
Principles of method if other than guideline:
Not specified.
GLP compliance:
yes
Type of method:
static method
Temp.:
25 °C
Vapour pressure:
0.119 Pa
Temp.:
20 °C
Vapour pressure:
0.064 Pa
Conclusions:
Low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), << 500 Pa).
Executive summary:

The assessement report for application as biocidal active substance provides, as secondary source, physico-chemical data on the constituent.

The vapour pressure, from GLP experimental study, is 119 mPa at 25°C.

Description of key information

Representative constituents of both volatile and non-volatile fractions have individual Vapour pressure in the range 8.79E-6 mPa to 119 mPa at 25°C (literature or QSAR calculated values). Considering the very minor proportion of the volatile fraction, the registered UVCB substance as a whole is assumed to have very low volatility (< 0.01 Pa).

Key value for chemical safety assessment

Additional information

Considering the registered substance is an UVCB, experimental testing was not considered suitable, as it would reflect the most volatile component, and not the substance as a whole. Therefore, a constituent-based, Weigh-of-Evidence approach, was prefered.

Four constituents were targeted, as representative of the volatile (worst-case) and non-volatile fractions; two constituents, of a different chemical family, were chosen in each fraction:

From sponsor's identification data, the major components of the volatile phase are heneicosane (n-C21) and tricos-9-ene. Literature data (HSDB, cited from handbook) provide a vapour pressure of 12 and 119 mPa at 25°C, respectively.

For the major, non-volatile, part, direct identification was not achieved, due to technical difficulties. The starting material, beeswax is a complex mixture of saturated and unsaturated linear and complex esters (27 to 40% monoesters, 9 to 23 % hydroxymonoesters, 7 to 16% diesters, 3.9% hydroxydiesters), 11 to 28% hydrocarbons, 1 to 18% saturated, unbranched free fatty acids, 4 to 8% of other substances and < 0.3% free fatty alcohols (EFSA Journal (2007) 615, 1-28). The registered substance Concrete of honeycomb cells of the bee by hexane extraction is anticipated to contain selectively extracted constituents. Hexane being a non-polar solvent, non-hydroxy esters and hydrocarbons are supposed to be predominant in the concrete. Based on the same data source, oleyl palmitate and heptacosane were selected, as major component in their family. No published data was available for the ester; a prediction was calculated with EpiSuite model, and found very low (8.79 E-6 mPa at 25°C). For the C27 alkane, HSDB again provides a value of 0.37 E-3 mPa.

No single key value was derived for the UVCB substance, result expressed as a range was prefered, having more scientific sense.

As a qualitative assessment, based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), and considering the volatile fraction represents less than 3% of the UVCB, the substance as a whole is regarded as having very low volatility (< 0.01 Pa).


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