PETROTOX

Concawe has developed PETROTOX, a spreadsheet model, designed to calculate the toxicity of petroleum products to aquatic organisms.

Petroleum hydrocarbons are complex mixtures that exert a narcotic mode of toxic action, which is assumed to be additive. This model calculates the solubility of a petroleum product and then uses the Target Lipid Model (TLM) (Di Toro et al. 2000) and toxic unit theory of additivity to calculate the toxicity or environmental risk limits of these mixtures.

The spreadsheet uses a three-phase (air, water, free product) oil solubility calculation (McGrath et al. 2004) that is coupled with a database of physical and chemical properties of typical petroleum hydrocarbons to calculate the distribution of petroleum hydrocarbons among the exposure water, headspace and free product phases. The properties database was developed by Concawe and contains physical/chemical properties such as boiling point, solubility and octanol-water partition coefficients (Kow) for 1462 hydrocarbon structures that are possibly found in petroleum products. This version of the Petrotox model performs the solubility and toxicity calculations with physiochemical properties derived from the database for each hydrocarbon block.

A variation of the model, PETROTOX-UDM allows the user to define the physio-chemical properties of the hydrocarbon blocks instead of relying on the representative library structures from Concawe’s hydrocarbon database. This version has many of the same features as the library-based version and can be utilized for the same types of applications. The user is required to input log (KOW), solubility, Henry’s Law Constants, molecular weight (MW) and chemical class for each hydrocarbon block.

These spreadsheet models can be used to analyze dose response data, calculate LL50s, or toxic units for user-input dose response data as a means of analyzing and designing toxicity experiments. The models can be used to analyze the results of fate models to calculate environmental toxicity and potential risk of hydrocarbon emissions in aquatic compartments. The environmental toxicity of individual hydrocarbons or specific hydrocarbon blocks can also be evaluated using the user-defined spreadsheet model.

The downloadable version below is PETROTOX 3.06:

PETROTOX spreadsheet model
PETROTOX user’s guide

Note! Given that PETROTOX files are regularly updated please download the latest version of PETROTOX each time you use the tool.

 

*DISCLAIMER OF WARRANTIES AND LIABILITIES

PETROTOX User Agreement and Disclaimer

This disclaimer is issued in regard to the tool referred to as PETROTOX.
The tool PETROTOX is being made available without charge or restriction except as stated in the next sentence.
No recipient of PETROTOX shall: (i) copyright or patent it in any form; (ii) redistribute it to others without Concawe’s prior written authorization; (iii) make a monetary charge for it.
To the extent not contrary to law, Concawe, shall not accept any liability for the PETROROX tool or its use.  Concawe shall not, in connection with PETROTOX, be liable for, including without limitation, the following : (i) damage to, or loss of, property; (ii) infringement of intellectual property rights; (iii) loss of, reduction in or interruption of business; (iv) loss of, or failure to achieve, revenue or profit; (v) increased costs of operation; (vi) loss of materials or information; (vii) computer failure or malfunction; (viii) special, direct, indirect, incidental, punitive or consequential damages; or (ix) any use of the tool. The preceding disclaimer shall apply whether or not liability results, or is claimed to result, from negligence or other circumstances.
Concawe does not represent or warrant that PETROTOX is free from defect or deficiency. Recipient shall be solely responsible for correction of defects or deficiencies, if any. There are no warranties, express or implied, including, without limitation, warranties of merchantability or suitability for a purpose.
Each recipient shall indemnify and defend Concawe against claims, liabilities, actions, costs and expenses which may result from recipient’s violation of the provisions of this disclaimer.
Please download the latest version of PETROTOX each time you use the tool.