2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

data is from modelling database

Qualifier:

according to guideline

Guideline:

other: estimated data

Principles of method if other than guideline:

MPBPVP v1.43 was used to estimate the vapour pressure of 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl] azo]-1-naphthyl] azo]-6-sulpho-1-naphthyl] azo] benzene-1, 4-disulphonic acid, magnesium sodium salt.

GLP compliance:

not specified

Type of method:

other: estimated data

Specific details on test material used for the study:

- Name of test material : 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt
- Molecular formula : C42H26MgN7NaO13S4
- Molecular weight : 1012.2624 g/mol
- Smiles notation : C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)N=NC6=C7C=C(C=CC7=C(C=C6)N=NC8=C(C=CC(=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C3)S(=O)(=O)O.[Na+].[Mg+2]
- InChl : 1S/C42H29N7O13S4.Mg.Na/c50-42-29-13-10-26(43-25-6-2-1-3-7-25)20-24(29)21-40(66(60,61)62)41(42)49-47-35-16-15-34(30-8-4-5-9-31(30)35)44-46-37-18-17-36(32-14-11-27(22-33(32)37)63(51,52)53)45-48-38-23-28(64(54,55)56)12-19-39(38)65(57,58)59;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;/q;+2;+1/p-3/b46-44+,48-45+,49-47+;;
- Substance type : Organic
- Physical state : Solid

Key result

Test no.:

#1

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Estimate data

Conclusions:

The estimated vapour pressure of 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl] azo]-1-naphthyl] azo]-6-sulpho-1-naphthyl] azo] benzene-1, 4-disulphonic acid, magnesium sodium salt at 25 deg C was 1.6132E-17 Pa.

Executive summary:

Modified Grain method was used to estimate the vapour pressure of 2 -[[4 -[[4 -[[6 -anilino-1 -hydroxy-3 -sulpho-2 -naphthyl] azo]-1 -naphthyl] azo]-6 -sulpho-1 -naphthyl] azo] benzene-1, 4 -disulphonic acid, magnesium sodium salt using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of 2 -[[4 -[[4 -[[6 -anilino-1 -hydroxy-3 -sulpho-2 -naphthyl] azo]-1 -naphthyl] azo]-6 -sulpho-1 -naphthyl] azo] benzene-1, 4 -disulphonic acid, magnesium sodium salt at 25 deg C was 1.6132E-17 Pa.

Description of key information

The estimated vapour pressure of 2 -[[4 -[[4 -[[6 -anilino-1 -hydroxy-3 -sulpho-2 -naphthyl] azo]-1 -naphthyl] azo]-6 -sulpho-1 -naphthyl] azo] benzene-1, 4 -disulphonic acid, magnesium sodium salt at 25 deg C was 1.6132E-17 Pa.

Key value for chemical safety assessment

Vapour pressure:

0 Pa

at the temperature of:

25 °C

Additional information

Modified Grain method was used to estimate the vapour pressure of 2 -[[4 -[[4 -[[6 -anilino-1 -hydroxy-3 -sulpho-2 -naphthyl] azo]-1 -naphthyl] azo]-6 -sulpho-1 -naphthyl] azo] benzene-1, 4 -disulphonic acid, magnesium sodium salt using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of 2 -[[4 -[[4 -[[6 -anilino-1 -hydroxy-3 -sulpho-2 -naphthyl] azo]-1 -naphthyl] azo]-6 -sulpho-1 -naphthyl] azo] benzene-1, 4 -disulphonic acid, magnesium sodium salt at 25 deg C was 1.6132E-17 Pa.