Acetone

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Well documented study, reliable within the limitations of the model.

Data source

Reference

Reference Type:

publication

Title:

Characterization of the environmental distribution behavior of organic chemicals by means of persistence and spatial range

Author:

Scheringer M.

Year:

1997

Bibliographic source:

Environ Sci. Technol. 31, 2891 - 2897

Materials and methods

Model:

other: simple one-dimensional model of the global circulation

Calculation programme:

The model consists of a circular tube of perimeter L = 40 000 km (perimeter pf earth). The tube is subdivided in n blocks, each of them containing a subcompartiment of soil, water, and air. Between adjacent blocks, tropospheric and oceanic eddy diffusion takes place. A single pulse emission of the amount M0 takes place at time t0. Persistence and spatial range are determined. Particle bound fraction, dry and wet deposition, and degrationrate constants are included.

Media:

other: global distribution

Test material

Test material information

Constituent 1

Reference substance name:

Acetone

EC Number:

200-662-2

EC Name:

Acetone

Cas Number:

67-64-1

Molecular formula:

C3H6O

IUPAC Name:

propan-2-one

Results and discussion

Any other information on results incl. tables

The atmospheric spatial range for acetone was calculated for 46.5% of the earth perimeter. No gas-particle partitioning was assumed for acetone. Persistence was calculated for ca. 20 days (value was derived from a diagramm in Scheringer, 1997).

Compound specific input parameters:

Compound	degradation rate in soil ks (s^-1)	degradation rate in water  kw (s^-1)	degradation rate in atmosphere ka (s^-1)	log Kow	KH (Pam^3/mol)	saturation concentration in air Csat (mol/m^3)	P0 (Pa)
acetone	2.00 10^-6	2.00 10^-6	1,2510^-7	-0.24	3.72	miscible	3.08 10^4

Applicant's summary and conclusion

Conclusions:

The results of the modelling reflect the volatility of acetone and the degradability in soil and water.

Executive summary:

A model consisting of a circular tube of perimeter L = 40 000 km (perimeter pf earth) subdivided in n blocks, each of them containing a subcompartiment of soil, water, and air was used to calculate persistence and spatial range of acetone. A single pulse emission of the amount M0 at time t0 are assumed. Dry and wet deposition, and degration rate constants are included.

The atmospheric spatial range for acetone was calculated for 46.5% of the earth perimeter. No gas-particle partitioning was assumed for acetone. Persistence was calculated for ca. 20 days. The results of the modelling reflect the volatility of acetone and the degradability in soil and water.