Guaiacol

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Universally accepted model

Data source

Reference

Reference Type:

other: Fugacity-Based Environmental Equilibrium Partitioning Model

Title:

The fugacity model level I

Author:

Mackay D

Year:

2001

Bibliographic source:

Multimedia Environmental Models: The fugacity Approach 2nd Edition, Lewis Publishers. Boca, Raton, pp: 1-261. [available on line] , URL: http://www.trentu.ca/cemc/

Materials and methods

Model:

calculation according to Mackay, Level I

Calculation programme:

The fugacity model was used with the following input:
Molar mass = 124.14 g/mol
Water solubility = 18500 g/m3
Vapour pressure = 14 Pa
Log Kow = 1.47
Melting point = 28°C

Release year:

2 007

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

Guaiacol

EC Number:

201-964-7

EC Name:

Guaiacol

Cas Number:

90-05-1

Molecular formula:

C7H8O2

IUPAC Name:

Phenol

Results and discussion

Percent distribution in media

Air (%):

1.83

Water (%):

96.35

Soil (%):

1.78