SPARC Estimates of Petroleum Hydrocarbon Properties
This page allows searches of a data set created by the
SPARC Performs Automated
Reasoning in Chemistry (SPARC) chemical property estimator. The data set was created
for estimating the environmental impacts of petroleum hydrocarbons and oxygentated additives.
Chemicals were included in the data set if they
were found or anticipated from detailed hydrocarbon
analysis of gasoline samples obtained
from around the United States.
Although the SPARC calculator can be run to generate values as needed, use of the data set on this web page
saves effort for the chemicals and temperatures included in the gasoline study.
SPARC was used for the gasoline study, because it provided a means to obtain values for almost all components and at temperatures covering the
range of shallow ground water temperatures (roughly 5 oC to 25 oC).
In contrast, literature values are normally available
for only a few temperatures and for many petroleum hydrocarbons few experimental data exist. Since the values
are calculated, they should be viewed as estimates that may differ from published data. For more information on
calculated and measured parameter values see our
chemical properties page.
The data set contains SPARC-generated values of
Boiling Point [oC],
Molecular Weight [g/mol],
Vapor Pressure [atm],
Infinite Dilution Activity Coefficient, and
Solubility [mg/L]
Also available in the data set are the Chemical Abstracts Service (CAS) number and smiles string for each chemical.
The smiles string is a symbolic way to represent chemical structure and is used for identification by SPARC.
Henry's Constants are also available from these data, although they were not calculated by SPARC. Here, the Henry's Constant
was estimated from the Vapor Pressure divided by the Solubility of the chemical. Other
estimates of Henry's Constants are available
in OnSite, but for a smaller set of petroleum hydrocarbons.
Choose chemicals:
Choose properties:
Temperature selection for Vapor Pressure, the Activity Coefficient, Solubility, and Henry's Constant
Interpolate among SPARC results
for any value between 0 oC and 25 oC:
oC
Select values from data set:
Page author: Jim Weaver,
of U.S. EPA, Office of Research and Development, Athens Georgia
who last modified this content on: May 23, 2005