Solubility Section
Applicability: Cranium, Synapse (core versions 0315+)

This section contains one large table and one large graph field. The section displays the solubility of the current chemical in various solvents.

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Property Control: this control shows the property whose values are currently displayed in the section's table and graph controls.
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Type Control: this control shows what type of values are currently displayed in the section's table and graph controls. The different types of values are: curve points, data values, equations, and estimates.
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Table Control: displays the selected physical property's values. A green triangle in the table control's upper right corner indicates that additional data are available. (See below.)
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Graph Control: displays the selected solubility's data values, estimated values, and curve points. Note that the Solubility Section's graph control is a compound graph control, i.e., it contains more than one graph.

Note that the table control contains several additional controls enabling you to select units for the temperature and property values.

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Temperature Units Control: this control shows the units in which temperature values are displayed.
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Pressure Units Control: this control shows the units in which pressure values are displayed.
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Solubility Value Units Control: this control shows the units in which property values are displayed.
Tip: Solubility and Phase Equilibria

Solubility is directly related to phase equilibria. Thus, you may find property values listed in this field for the pure chemical as well as listed in the phase equilibria section of mixtures containing this chemical.

Selecting a Solubility Property and Type

The Property Control and Type Control are located at the top of the section. The Property control is used to select the physical property whose values are to be displayed and the Type Control is used to select which type of values are to be displayed.

Clicking the left mouse button on either of the edit boxes to the right of the Property label activates the Properties dialog.

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Properties List Control: Displays all temperature and pressure dependent physical properties.
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Values Type List Control: Displays the type of values available in this section.
Data Values

The section's Data Table displays the chosen solubility data values. The data values are displayed in the units shown in the units rows near the top of the table. A green triangle in the upper right corner of the table control indicates that additional data are available. (See the documentation on All Data Dialog for details on managing mutli-status solubility data.)

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The green triangle indicates additional data values having non-active status.

Clicking the left mouse button on the data values table control activates the Solubility Data Edit Dialog enabling you to enter a temperature, pressure, value, accuracies, units, reference, and comments. (See here for documentation.)

Data Table Commands Menu

Clicking the right mouse button within the data table control displays the field's data commands menu.

The menu's commands enable you to copy, cut and paste values to and from the data table control. See Common Menu Commands for documentation on the commands commonly found on command menus. Some of this field's more specific commands are:

  • Edit All Data: uses the All Data dialog to enable editing data having status values of passive, rejected or unknown. See All Data Dialog for documentation.)
  • Edit Data: enables you to view and mofidy the current physical property's datum. The solvent, property value, accuracy, units of measure, reference and comments can be viewed and edited. See Data Edit Dialog for detailed documentation. (Clicking the left mouse button on the table control will also execute this command.)

    Each property field runs a set of verification tests to check the validity of an entered value. A solubility value must be a number between 0 and 1, if in units of mole fraction or weight fraction, or a number between 0 and 100, if in units of mole percent or weight percent. Cranium or Synapse will signal an error if the entered value fails a physical property verification test.

Example: Enter solid solubility data
  1. Open a knowledge base document. (Open a "working" document or create a copy of a document (see here) if you are just experimenting with this functionality.)
  2. Change to the Techniques Chapter and navigate to benzoic acid. (See the Navigation Overview documentation for details on navigating chapters and pages.)
  3. Scroll down to the Solubility in Solvents section and click the left mouse button in the property control. The application activates the Properties - f(T,P) dialog.
  4. Select Solubility, Solid - f(T,P) from the list of properties and Data Values from the list of values types.
  5. Press the OK button. The application will close the dialog and display any current solubility data.
  6. Click the left mouse button anywhere in the large values area of the section's table control. The application activates the Property Data dialog.
  7. Click the left mouse button on an empty row in the table control and press the dialog's Edit button. The application activates the Datum Edit dialog.
  8. Enter values for the state variables (the solvent, temperature and pressure) and datum. Press the OK button when finished. This datum is added to the Property Data dialog.

    Note that datum entry dialogs manage data in their original units. Data dialogs and fields display manage data in their current, converted units.

  9. Press the Save button to store these values in the document and display them in the field's table control.
Editing Estimated Values

Selecting 'Estimates' from the Value Type Control (see above) will display the chosen physical property's estimated values. Estimated values are displayed in the units shown in the units rows near the top of the table.

Before solubility estimates can be generated, you must enter one or more solvent, temperature and pressure values. Clicking the left mouse button on the estimated values table control activates the Solubility Estimates Details Dialog enabling you to enter solvents and temperatures and pressures, view estimated values, and review estimation comments. (See here for documentation.)

Estimated Values Table Commands Menu

Clicking the right mouse button on the estimated values table control displays the estimated values table control's commands menu.

The menu's commands enable you to copy, cut and clear values from the estimate control and manage the property's estimation techniques. (You can paste state variable values but you cannot paste estimated values into the control.) See Common Menu Commands for documentation on the commands commonly found on command menus. Some of this field's more specific commands are:

  • Edit Variables & Detail Estimates: activates the Solubility Estimates dialog which enables you to view estimation details, enter state variables for new estimations, copy values, regress values and use Goal Seek to find state variables giving specified estimated values. See Solubility Estimates Dialog for documentation on these capabilities.
  • Select Technique: enables you to specify the estimation mode and the estimation technique used to estimate the current solubility property. Selecting this command activates the Estimation Technique Information dialog.

    The dialog lists two estimation modes: Automatic and Manual. By default all estimations are initially set to Automatic Mode. Once you choose Manual Mode, the list of estimation techniques is enabled allowing you to choose any application estimation technique. See the Manual Technique Dialog documentation for more discussion about manually setting estimation techniques.

  • Compute Estimates: activates the Property Estimation dialog which enables you to estimate the current physical property. The functionality of this command is similar to that of the Commands menu Compute Estimates command. The key difference is that the estimates control's menu command limits the estimation to only the current physical property. See Estimate Chemical Properties for documentation.

Note that although state variable values can be pasted into the estimates table control, estimated values cannot be pasted into the estimates table control. Estimated values must be generated using the Compute Estimates command describe previously.

Editing Curve Points

The values entered into the section's Curve Points Table are displayed as curves in the section's graph. Curves can greatly help visual trends in values and help organize values at different state conditions or from different references.

You display the Curve Points Table by selecting the "Curve Points" values type in the Properties dialog. (See above.)

The curve points are displayed in the units shown in the units rows near the top of the table.

Curve Points Menu

Clicking the right mouse button on the curve points table control displays the commands menu.

The menu's commands enable you to copy, cut and paste values to and from the curve points table control. See Common Menu Commands for documentation on the commands commonly found on command menus.

The Edit Values menu command activate the Curves Edit dialog. See documentation on the Curves Edit Dialog for details.

Tip: Using curve points for each solvent

It can be very helpful to regress solubility data for each solvent and generate curve points for each solvent using the regressed equation. See documentation on the Regress Values Dialog for details on regressing values.

Editing Equation Values

Values for temperature, pressure and composition dependent properties are often regressed into equations for analysis and dissemination. The section's Equations Table enables you to store one or more equations for each physical property.

Each equation entry displays the equation's name, form and parameters. The dependent variable is not shown and the independent variable is denoted by the character "X". Note that for this section, X can represent either temperature or pressure.

The section's Equations Table displays the chosen physical property's equation and parameter values. You display the Equations Table by selecting the "Equations" values type in the Properties dialog. (See above.)

Equations Commands Menu

Clicking the right mouse button on the equations control displays the commands menu.

The menu's commands enable you to copy, cut and paste values to and from the equations table control. See Common Menu Commands for documentation on the commands commonly found on command menus.

The Edit Equations menu command activate the Equations Edit dialog. See documentation on the Equations Edit Dialog for details.

Tip: Enter equation compilations in a technique

It is typically better to enter large compilations of equations and/or equation parameters in an estimation technique. See documentation for the Techniques Chapter's Parameters Section for details.

Changing Units

The second header row of the section's data, estimated values, and curves table controls contains edit controls displaying the current units for temperature, pressure, and the solubility value. Clicking the left mouse button within one of these units controls activates the Set Property Units dialog.

Selecting new units from the list and press the OK button changes the current units in which the property is displayed. (Note that all data are stored in their original units - changing the displayed units does not change any stored data.) The dialog's Std Units button displays the default units used by Cranium and Synapse for the current physical property. All estimated values are generated by Cranium and Synapse in standard units. (See documentation on the Property Units Dialog for additional details on changing property units.)

Tip: All displayed units change

The units set via the Set Property Units dialog, accessed either from the Options menu's Set Units command or clicking on the Units control in a physical property field, are assigned for all documents in the application. For example, if you have three knowledge base documents open and then change the units of the vapor pressure, all documents will update their vapor pressure displays using the newly selected units.

Also note that changing temperature or pressure units will change these values for all values throughout the applicatino. Thus, changing the temperature units in this section's table control will change the temperature units in the Temperature Dependent Section as well as the temperature dependent sections in the mixture chapter.

Units are also stored in the application. The next time Cranium or Synapse starts, the set of units used in your last session will be used again.

Graph Fields

The Solubility Section contains a compound graph control. This control contains two different graphs. You use the right hand side vertical scroll bar to switch between graphs.

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Use the graph field's scroll bar to quickly switch between the section's two graphs.
Solubility Range Graphs

The first type of graph in the graphs field is a solubility range graph. Solubility range graphs display the solubility of the current chemical in a solvent at a given temperature within a range on a single row in a table. The various parts of a range graph are documented below.

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Scroll Bar: the graphs field scroll bar is used to switch between the section's range graph and xy graph. To view the range graph, scroll to the top position.
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Solvent Name: the left cell of a range graph shows the name of the solvent.
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Range Graph Axis: the right cell of a range graph shows solubility values on a single horizontal axis.
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Minimum Temperature: the minimum temperature value of all data points.
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Middle Temperature: the middle temperature value of all data points.
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Maximum Temperature: the maximum temperature value of all data points.
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Green Data Point: a green data point indicating that the datum's temperature is at or near the minimum temperature value.
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Red Data Point: a red data point indicating that the datum's temperature is at or near the maximum temperature value.

Each data point in a solubility range graph is color coded. Green represents the lowest temperature value. Red represents the highest temperature value. Yellow represents the middle temperature value.

The color of each point is calculated from its temperature based on a linear range from green to yellow and then from yellow to red. For example, a range of temperature values from 300 K to 400 K would be colored according to the following scale:

Examining Solubility Range Graphs

Clicking the left mouse button on a range graph control activates the Values Examination Dialog.

The Values Examination Dialog shows the solubility range graphs in the top Solubility Graphs control. Clicking the left mouse button on a row in the graph selects the row and displays the numerical values for each graph point in the Solubility Values table.

Holding the left mouse button down on a range graph's row and dragging the mouse will select several rows. The associated numerical values for all selected graph points will be displayed in the Solubility Values table.

Pressing the dialog's Detail Button activates the Chemical Details dialog enabling you to view each selected solvent's molecular structure, synonyms, and various constant properties. See documentation for the Chemical Details Dialog for details.

Solubility Range Graphs Commands Menu

Clicking the right mouse button on a range graph control displays the control's commands menu.

  • Edit Graph Attributes: activates the Solubility Graph Attributes dialog.

    The Graph Attributes dialog enables you change whether the temperature or pressure is used as the range attribute.

  • Examine Graph: activates the Values Examination Dialog which details the numerical value of each displayed graph point. This is the same dialog activated when you click the left mouse button on the range graphs control. (See above.)
  • Copy Graph: copies an image of the graph onto the clipboard for pasting into other applications.
Viewing XY Solubility Graphs

The second type of graph in the graphs field is a solubility xy graph. XY graphs are typically used to display the solubility of the current chemical in a solvent over a range of temperatures or pressures.

Clicking the left mouse button on a graph control activates the Values Details Dialog.

The Values Details dialog shows the description of each symbol or curve displayed on the graph. For data values, the description is the identifier of the associated reference. For estimated values, the description is the name of the technique used to generate the estimates. For curve points, the description is the name of the curve.

The Values Details dialog provides commands for reporting, transferring values to graph documents, and displaying references. See the documentation for the XY Graph Key Dialog for details.

XY Graph Commands Menu

Clicking the right mouse button on a graph control displays the control's commands menu.

  • Edit Graph Attributes: activates the XY Graph Attributes dialog.

    The Graph Attributes dialog enables you change the attributes being displayed, transform values, set formats, and set axis limits. See documentation on the XY Graph Attributes Dialog for details.

  • Show Reference Key: activates the Values Details dialog which shows the description of each symbol or curve displayed on the graph. See documentation for the XY Graph Key Dialog for details.
  • Examine Graph: activates the Graph Examination Dialog which enables you to select and identify each point displayed in the graph, zoom into specific areas of the graph, and fit curves to selected values.
    See documentation on the XY Graph Examination Dialog for details.
  • Edit Static Curves: activates the Static Curve Points edit dialog which enables you to add curve points that will appear on every Solubility Section's xy graph in the current document. Static graphs are very powerful tools for comparing the physical property values of different chemicals and mixtures. See documetation on Using Static Graphs for details.
  • Copy Graph: copies an image of the graph onto the clipboard for pasting into other applications.
Related Documentation
Topic Description
Estimating Chemical Properties a short video demonstrating how to estimate physical properties using either Synapse or Cranium.
Getting Started using Cranium provides a quick tour of Cranium's capabilities including a discussion of structure editing.
Chemicals Chapter the chemicals chapter contains numerous sections for entering and displaying data and estimates including the chemical structure section.