reaction mass of N,N'-ethane-1,2-diylbis(decanamide) and 12-hydroxy-N-[2-[(1-oxodecyl)amino]ethyl]octadecanamide and N,N'-ethane-1,2-diylbis(12-hydroxyoctadecanamide)

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Qualifier:

no guideline followed

Principles of method if other than guideline:

The vapour pressure is estimated by calculation. The software (EPISuite MPBPVP (v1.43)) uses three different methods (Antoine method, modified grain method, Mackay method) to estimate the vapour pressure based on melting point and boiling point of the substance.

GLP compliance:

no

Type of method:

other: Calculation

Specific details on test material used for the study:

CAS Number: 123-26-2SMILES : CCCCCCC(CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O)OCHEM : 12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamideMOL FOR: C38 H76 N2 O4MOL WT : 625.04

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Antoine Method

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Modified Grain Method

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Mackay Method

Vapor Pressure Estimations (25 deg C):

(Using BP: 801.18 deg C (estimated))

(Using MP: 349.84 deg C (estimated))

VP: 2.22E-040 mm Hg (Antoine Method)

: 2.96E-038 Pa (Antoine Method)

VP: 1.22E-024 mm Hg (Modified Grain Method)

: 1.62E-022 Pa (Modified Grain Method)

VP: 3.58E-019 mm Hg (Mackay Method)

: 4.78E-017 Pa (Mackay Method)

Conclusions:

The estimates for the vapour pressure of the test material are below 5E-17 Pa for all three methods used.

Executive summary:

The vapour pressure of the test material is calculated from estimated melting and boiling point by MPBPVP, using EPI Suite. All three used models predict very low values for the vapour pressure at 25°C (< 5E-17 Pa). The EPA recommend that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.

Reference 2

Endpoint:

vapour pressure

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Qualifier:

no guideline followed

Principles of method if other than guideline:

The vapour pressure is estimated by calculation. The software (EPISuite MPBPVP (v1.43)) uses three different methods (Antoine method, modified grain method, Mackay method) to estimate the vapour pressure based on melting point and boiling point of the substance.

GLP compliance:

no

Type of method:

other: Calculation

Specific details on test material used for the study:

CAS Number: 146781-64-8SMILES : CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)OCHEM : N-[2-(decanoylamino)ethyl]-12-hydroxyoctadecanamideMOL FOR: C30 H60 N2 O3MOL WT : 496.82

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Antoine Method

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Modified Grain Method

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Mackay Method

Vapor Pressure Estimations (25 deg C):

(Using BP: 675.64 deg C (estimated))

(Using MP: 294.64 deg C (estimated))

VP: 1.86E-026 mm Hg (Antoine Method)

: 2.48E-024 Pa (Antoine Method)

VP: 5.71E-019 mm Hg (Modified Grain Method)

: 7.61E-017 Pa (Modified Grain Method)

VP: 3.32E-015 mm Hg (Mackay Method)

: 4.43E-013 Pa (Mackay Method)

Conclusions:

The estimates for the vapour pressure of the test material are below 5E-13 Pa for all three methods used.

Executive summary:

The vapour pressure of the test material is calculated from estimated melting and boiling point by MPBPVP, using EPI Suite. All three used models predict very low values for the vapour pressure at 25°C (< 5E-13 Pa). The EPA recommend that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.

Reference 3

Endpoint:

vapour pressure

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Qualifier:

no guideline followed

Principles of method if other than guideline:

The vapour pressure is estimated by calculation. The software (EPISuite MPBPVP (v1.43)) uses three different methods (Antoine method, modified grain method, Mackay method) to estimate the vapour pressure based on melting point and boiling point of the substance.

GLP compliance:

no

Type of method:

other: Calculation

Specific details on test material used for the study:

CAS Number: 51139-08-3SMILES : CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCHEM : N-[2-(decanoylamino)ethyl]decanamideMOL FOR: C22 H44 N2 O2MOL WT : 368.61

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Antoine Method

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Modified Grain Method

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Mackay Method

Vapor Pressure Estimations (25 deg C):

(Using BP: 550.10 deg C (estimated))

(Using MP: 236.00 deg C (estimated))

VP: 1.51E-014 mm Hg (Antoine Method)

: 2.01E-012 Pa (Antoine Method)

VP: 7.67E-012 mm Hg (Modified Grain Method)

: 1.02E-009 Pa (Modified Grain Method)

VP: 2.52E-011 mm Hg (Mackay Method)

: 3.36E-009 Pa (Mackay Method)

Conclusions:

The estimates for the vapour pressure of the test material are below 3.5E-9 Pa for all three methods used.

Executive summary:

The vapour pressure of the test material is calculated from estimated melting and boiling point by MPBPVP, using EPI Suite. All three used models predict very low values for the vapour pressure at 25°C (< 3.5E-9 Pa). The EPA recommend that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.

Reference 4

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: 92/69/EEC, A4 (Effusion method by loss of weight).

GLP compliance:

yes

Type of method:

effusion method: by loss of weight or by trapping vaporisate

Temp.:

25 °C

Vapour pressure:

< 0 Pa

Remarks on result:

other: Estimated vapour pressure value.

Description of key information

According to the study report, the vapour pressure of the substance is estimated ato be lower than 1E-5 Pa at 25 °C by using the Clausius–Clapeyron equation. A measurement by effusion method by loss of weight (92/69/EEC, A4) at 139.6 °C gave a result of 1E-6Pa, which could not be used to provide an estimation and confirm the calculated value.

In addition, the vapour pressure as calculated by MPBVP v1.43 is provided for each of the three components of the amide mixture. Therein, the highest vapour pressure at 25 °C was calculated for component N-[2-(decanoylamino)ethyl]decanamide (CAS 51139-08-3) as 3.36E-9 Pa (Mackay Method), which is less than the estimation by the study report.

Nevertheless, the EPA recommends that empirical measures should be preferentially considered. Since all estimated values are below 1E-5 Pa and experimental determination was not possible, the vapour pressure of the test material is regarded as negligible.