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Download a
Demo of the 16 bit Version of CIARATM The CIARA Demo is provided as a demo.zip file (1.3 MB). To unzip this file at least 2.8 MB of hard disk space is needed.
The CIARA Demo provides an overview of the program; however, some functions are not available. You can calculate reactions, use a limited database and select substances from a small Materials List. The full version of CIARA allows you to create multiple databases with an unlimited number of records and it includes a Materials List of 1000 substances.
A copy of the CIARA Demo Tutorial is provided at this web site or it can be printed from the demotut.doc file (Word for Windows format), or the demotut.txt file (ASCII format) that are downloaded with the demo.zip file.
![[Click here to download the CIARA Demo]](images/dlcradem.gif)
The CIARA Demo requires Windows 3.0 or greater,
an EGA or VGA monitor, and 2.8 MB available disk space. Of this 2.8 MB, 1.3 MB resides in
the cra_demo directory and 1.5 MB resides in the Windows System directory.
After downloading the demo.zip file, create a new directory (e.g., c:\cra_temp) and copy
the demo.zip file into this directory. Use PKunzip to unzip the file. From File Manager
(Windows 3.1) or Explorer (Windows 95) locate the setup.exe file in the directory you just
created and double click it.
A dialog box is displayed confirming that the CIARA Demo will be installed in the cra_demo directory on the C drive. A different
path and directory can be selected if desired. Click the Continue button to proceed with
the installation.
(You many experience problems during installation if you have earlier version of some
".VBX" files on your computer. If you get an error message relating to a
".VBX" file you should rename the file (e.g. rename THREED.VBX to THREED.SAV)
and restart the installation. The ".VBX" files usually are located in the
windows or windows/system directory.)
A dialog box is displayed indicating that the installation is complete. Press the Enter
key or click the OK button and this box closes.
Windows 3.1:
The setup program creates a CIARA Demo group
that is displayed in the Program Manager. This group contains the CIARA
Demo, CIARA Demo
Tutorial, and the CIARA Demo Help File.
Windows 95:
The setup program creates a CIARA Demo folder.
This folder can be accessed by clicking the Start button, pointing at Programs on the
menu, and pointing at the CIARA Demo folder on
the submenu. This gives a submenu with the CIARA Demo, CIARA Demo Tutorial, and the CIARA Demo Help File.
Back to
Top
I. Introduction
The best way to get an overview of CIARA is to work through the examples in this Demo
Tutorial. This Tutorial covers the main features of the program. The Demo version has
several features disabled. For example, the demo database has a limit of ten records and
you cannot create your own databases. The printing, copying, import and export features
are disabled, you cannot add materials to the Materials List, and the Materials List of
1000 substances is not supplied. Should you decide to purchase a copy of CIARA it is
highly recommended that you work through the examples in the accompanying tutorial to
become familiar with the features not available in this demo version.
Throughout this tutorial bold text is used to indicate text that is typed, buttons that
are clicked, or options that are selected.
Please follow the tutorial from beginning to end without skipping any sections. You can
stop and start at any time. If you start entering examples in the Tutorial demo database
and want to begin again you should delete all but the first three records.
All features in CIARA are described in detail in the on-line help.
II. View the Demo Database
Open a database.
View Reactants Page 1, Reactants Page 2, Products, and Experimental.
Move through the database using the Data Control Buttons.
Change Labels.
Use the Restore option.
1. Open the CIARA program.
(If boxes on the right side or lower edge of the opening form are cut off the Windows
boarder setting may be too wide. See section IV, Page 10 of this Tutorial.)
2. Open the Demo database:
a. From the File menu select Open Demo Database.
b. The Demo database opens and the last record is displayed ("Record 3 of 3" as shown on the Program Status Bar along the lower edge of the application area).
Note: In the full version of CIARA the "Open Demo Database" option is replaced with "Open Database" and you can select a database from a list.
3. View the Reactants pages:
a. The Reactants Page 1 is displayed.
b. Locate the Reactants Pg2 button on the Program Status Bar along the lower edge of the application area. This button has a gray circle to the right of the button title to indicate that no data is present on the corresponding page.
c. Click the Reactants Pg2 button (or from the View menu select Reactants Page 2).
d. The Reactants Page 2 is displayed. CIARA allows you to input a maximum of twelve Reactants.
4. View the Products page:
a. Locate the Products button on the Program Status Bar. This button has a red circle to the right of the button title to indicate that data is present on the corresponding page.
b. Click the Products button (or from the View menu select Products).
c. The Products page is displayed. CIARA allows you to input a maximum of two products.
5. View the Experimental page:
a. Locate the Expt button on the Program Status Bar. This button has a red circle to the right of the button title to indicate that data is present on the corresponding page.
b. Click the Expt button (or from the View menu select Experimental).
c. The Experimental page is displayed. CIARA allows you to input a maximum of 65,000 characters on this page.
6. Click the Reactants Pg1 button (or from the View
menu select Reactants Page 1) to go back to the original display page.
7. Move between records using the Move buttons (or the Move
options on the Reposition menu). The Move buttons are
located to the right of the "Date" box on either side of the text "Edit
Record". Notice that when you move between records the Program Status Bar changes to
correspond to the record on display.
a. Click the Move First button (or from the Reposition menu select Move First) to go to the first record in the database.
b. Click the Move Next button (or from the Reposition menu select Move Next) to go to the record immediately following the current record on display.
c. Click the Move Previous button (or from the Reposition menu select Move Previous) to go to the record immediately preceding the current record on display.
d. Click the Move Last button (or from the Reposition menu select Move Last) to go to the last record in the database.
8. Record 3 (Record Name: NB14P028) has Density (Reactant 2), Concentration (Reactant 5), and Weight Percent (Reactant 4) values in the second column from the right.
a. The Density value for Reactant 2 is 0.975. This is the density of the pure liquid Reactant in g/mL units.
b. The box labels "Dens.", "Conc.(M)", and "Wt%", are blue to indicate they will change when clicked. Click the blue "Dens." label (not the box) for Reactant 2 (or from the Labels menu select Dens/Conc/Wt% and from the drop-down menu select Concentration (Molar)):i. The "Dens." label changes to "Conc.(M)".
ii. The box to the right changes to a "Volume of Solution" (mL of sol.) box and the value is recalculated to correspond to the label.
iii. The solvent boxes on the second line change to "Density of Solution" (Dens. of sol.) and "Weight of Solution" (Grams of sol.) boxes.
c. Click the blue "Conc.(M)" label for Reactant 2 (or from the Labels menu select Dens/Conc/Wt% and from the drop-down menu select Weight Percent):
i. The "Conc.(M) label changes to "Wt%.
ii. The box to the right changes to a "Weight of Solution" (g of sol.) box and the value is recalculated to correspond to the label.
iii. The "Weight of Solution" box on the second line changes to a "Volume of Solution" (mL of sol.) box.d. Click the blue "Wt%" label for Reactant 2 (or from the Labels menu select Dens/Conc/Wt% and from the drop-down menu select Density (g/mL)):
i. The "Wt%" label changes to "Dens.".
ii. The box to the right changes to a "Volume of Reactant" (mL) box and the value is recalculated to correspond to the label.
iii. The boxes on the second line change to "Solvent Volume" (in) and "Solvent Name" (mLs of) boxes.
9. All blue labels change when clicked. These labels also can be changed using the options on the Labels menu.
a. Click the blue "Grams" label several times to toggle between "Kilograms", "Pounds", and "Grams". The weight value is recalculated to correspond to the unit. All labels in the record that contain weight units (e.g., g of sol., Product Weight) change to the selected unit.
b. Click the blue "Mmoles" label to toggle between "Moles" and "Mmoles".
c. Click the blue "mL of " label (located in the second row of Reactant boxes) several times to toggle between "L of ", "gal of ", and "mL of ". All labels in the record that contain volume units change to the selected unit.
d. Click the labels in the last column several times and notice the changes.
e. Click the blue "Dens. of sol." label for Reactant 5 and notice the change to "Solvent Volume" and "Solvent Name" boxes. Click the blue "in" label and notice the change back to "Dens. of sol." and "Grams of sol." boxes.
10. Click the Restore button (or from the Edit menu
select Restore Record) to cancel changes and return the record to its
original state. This option cancels all changes prior to an Update.
III. Add Records to the Demo Database
In this section you will use the Demo Tutorial database to add records, update records,
and become familiar with important features of the program.
Example 1
This record is for the conversion of cyclohexanol to 1-cyclohexyloxy-1-butene.
1. Click the Add New button (or from the Edit menu
select Add New Record).
2. Click the Yes button to clear all data.
3. In the "Record Name" box type NB14P029. This is an example
of a Record Name corresponding to Notebook 14, Page 29. Records in CIARA databases are
sequenced in alphanumeric order based on the Record Name.
4. Hit the Tab key to move to the "Date" box (or click the box)
and type 1/12/96.
5. Hit the Tab key to move to the "MF" box for Reactant 1 (or
click the box) and type c6h12o.
6. Hit the Tab key to move to the Reactant 1 "Name" box (or
click the box). Notice that the molecular weight is displayed automatically. Type Cyclohexanol
in the box.
7. Hit the Tab key to move to the "Grams" box (or click the
box) and type 12 for the Reactant weight.
8. Hit the Tab key to move to the "Equiv." box (or click the
box). Notice that the Mmole value is displayed automatically. Type 1 for
the equivalents.
9. Hit the Tab key to move to the "Dens." box (or click the
box). Type 0.948 for the Density of Reactant 1 (g/mL units).
10. Input a solvent for Reactant 1:
a. Click the white box with the "in" label to the left (located below the "Equiv." box).
b. In the text box type 220.
c. Notice that the "Bind input to weight of Reactant" is set to Yes. This means that the volume will be scaled accordingly when the Reactant amount is changed.
d. Click the OK button (or hit the Enter key).
e. The cursor is in the "Solvent Name" box (blue box with the "mLs of " label to the left). Type THF in the box.
11. Enter the information for Reactant 2:
a. Click the "MF" box for Reactant 2 and type kh.
b. Hit the Tab key to move to the "Name" box and type Potassium hydride (35 wt% suspension in mineral oil).
c. Hit the Tab key to move to the "Equiv." box type 1.5.
Enter a Weight Percent value for this Reactant:
a. Hit the Tab key to move to the "Dens." box.
b. Click the blue "Dens." label two times (or from the Labels menu select Dens/Conc/Wt% and from the drop-down menu select Weight Percent). The "Wt%" label is displayed.
c. In the "Wt%" box type 35.
12. Use the Materials List to enter Trichloroethylene for Reactant 3:
a. Click a blue box associated with Reactant 3 (e.g., "MF" box).
b. Click the Use Lst button (or hit the F8 key).
c. In the "Reactants/Products" box type tri and notice that trichloroethylene appears on the list below.
d. Click Trichloroethylene on the list.
e. Notice that information corresponding to this Reactants appears in the boxes below.
f. Hit the Enter key (or click the OK button).
g. In the "Equiv." box type 1.1.
13. Use the Materials List to enter n-Butyllithium for Reactant 4:
a. In the Reactant Name box for Reactant 4 type n-butyl (this will generate a subset of the Materials List).
b. Click the Use Lst button (or hit the F8 key).
c. Notice that the Materials List appears and it contains only materials that begin with "n-Butyl" (the prefix "n-" is placed at the end of the name on the Alphabetic List).
d. Click the third material on the list corresponding to a 2.5 M solution in hexane.
e. Notice the Reactant/Product Name in the box below is displayed with the prefix "n-" at the beginning of the name.
f. Hit the Enter key (or click the OK button).
g. In the "Equiv." box type 2.2.
14. Enter the following information for Reactant 5:
MF: c2h5i
Name: Ethyl iodide
Equivalents: 3.012
Density: 1.95
15. Enter the information for Product 1:
a. Click the Products button on the Program Status Bar (or from the View menu select Products). The Products page is displayed.
b. In the "MF" box for Product 1 type c10h16o.
c. Hit the Tab key and the Molecular Weight (MW) and Theoretical Yield (Theo.) are displayed.
d. In the "Name" box type 1-Cyclohexyloxy-1-butene.
e. Hit the Tab key to move to the "Weight" box type 16.3.
f. Hit the Enter key and the Mmoles and % Yield are displayed.
16. Click the Expt button on the Program Status Bar (or from the View
menu select Experimental).
17. Type the following text for the experimental: "To a 500 mL one necked
round-bottomed flask with a magnetic stir bar was added...".
18. Click the Reactants Pg1 button (or from the View
menu select Reactants Page 1).
19. Save this record to the database:
a. Click the Update button (or from the Edit menu select Update Record).
b. Click the Yes button (or hit the Enter key).
c. Notice the Reactants Pg1, Products, and Expt. buttons have a red circle to indicate that data is present on these pages.
If you input this record correctly the following information should be present:
NB14P029 1/12/96 Reactants MW Grams Mmoles Equiv Dens. mL 1. C6H12O 100.16068 12 119.81 1 .948 12.658 Cyclohexanol in 220.0 mL of THF Wt% g of sol. 2. KH 40.10624 7.2075 179.71 1.5 35 20.593 Potassium hydride (35% suspension in mineral oil) Dens. mL 3. C2HCl3 131.38804 17.315 131.79 1.1 1.464 11.827 Trichloroethylene Conc.M mL of sol. 4. C4H9Li 64.05646 16.884 263.58 2.2 2.5 105.43 Dens. of sol. .693 g of sol. 73.063 n-Butyllithium (2.5 M in hexane) Dens. mL 5. C2H5I 155.96617 56.282 360.86 3.012 1.95 28.863 Ethyl iodide Products MW Grams Mmoles Equiv %Yield Theo.(g) 1. C10H16O 152.23644 16.3 107.07 1 89.369 18.239 1-Cyclohexyloxy-1-butene To a 500 mL one necked round-bottomed flask with a magnetic stir bar was added...
The full version of CIARA allows you to print or copy data in the above table form.
These features are disabled in the demo version.
Example 2
This record is for the conversion of 2-methyl-2-(2-phenylethenyl)-1,3-dithiolane to
(E)-3,3-dimethyl-1-phenyl-1-butene.
1. Click the Add New button (or from the Edit menu
select Add New Record).
2. Click the Yes button to clear all data.
3. In the "Record Name" box type NB14P030 (this code
corresponds to Notebook 14 Page 30).
4. Hit the Tab key to move to the "Date" box and type 1/14/96.
5. Enter the information for Reactant 1:
a. Hit the Tab key to move to the "MF" box for Reactant 1 and type c12h14s2.
b. Hit the Tab key to move to the "Name" box and type 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane.
c. Hit the Tab key to move to the "Grams" box and type 17.8.
d. Hit the Tab key to move to the "Equiv." box and type 1 .
6. You know the molecular weight of a nickel complex but you do not know the molecular formula. To manually input the molecular weight:
a. Click the "MW" box for Reactant 2 (or click a blue box associated with Reactant 2 and from the Edit menu select Manual MW Input).
b. The "Manual MW Input" dialog box is displayed. In the text box type 542.07.
c. Notice in the "Select Input Type" box the default is set to "Manual Input".
d. Click the OK button (or hit the Enter key). Notice the blue "MI" (Manual Input) label is surrounded by a pink boarder to indicate the value in the "MW" box was input manually.
e. In the blue box to the right of the "MI" label type the acronym [NiCl2(dppp)]. This is for display purposes only and will not be used to calculate the molecular weight (you can leave this box blank if desired).
f. Hit the Tab key and in the "Name" box type [1,3-Bis(diphenylphosphino)propane]nickel(II) chloride.
g. Hit the Tab key and in the "Equiv." box type 0.05.
7. Input a solvent for Reactant 2:
a. Click the white box with the "in" label to the left (located below the "Equiv." box).
b. In the text box type 300.
c. Click the OK button (or hit the Enter key).
d. The cursor is in the "Solvent Name" box (blue box with the "mLs of " label to the left). Type THF in the box.
8. Enter the following information for Reactant 3:
MF: CH3MgI
Name: Methylmagnesium iodide (3M in diethyl ether).
Equivalents: 5
Enter a Concentration value for this Reactant:
a. Hit the Tab key to move to the "Dens." box.
b. Click the blue "Dens." label (or from the Labels menu select Dens/Conc/Wt% and from the drop-down menu select Concentration). The "Conc.(M)" label is displayed.
c. In the "Conc.(M)" box type 3.
d. Hit the Enter key. The "mL of sol." value is displayed in the box to the right.
e. Click the "Dens. of sol." box (not the label) on the next line and type 1.261.
f. Hit the Enter key. The "Grams of sol." value is displayed in the box to the right.
9. Enter the following information for Reactant 4:
MF: nh4cl
Name: Ammonium chloride
Equivalents: 10.
Solvent: 200 mL
Solvent Name: Water
10. Click the Products button on the Program Status Bar (or from the View
menu select Products).
11. In the "MF" box for Product 1 type c12h16.
12. Hit the Tab key to move to the "Name" box and type (E)-3,3-Dimethyl-1-phenyl-1-butene.
13. Hit the Tab key to move to the "Weight" box and type 11.4.
14. Hit the Enter key.
15. Click the Expt button on the Program Status Bar (or from the View
menu select Experimental).
16. Type the following text for the experimental: "To a one liter
three-necked round bottomed flask was added...".
17. Click the Reactants Pg1 button (or from the View
menu select Reactants Page 1).
18. If you entered this record correctly the following information should be present:
NB14P030 1/14/96 Reactants MW Grams Mmoles Equiv 1. C12H14S2 222.37516 17.8 80.045 1 2-Methyl-2-(2-phenylethenyl)-1,3-dithiolane 2. [NiCl2(dppp)] 542.07 2.1695 4.0022 .05 [1,3-Bis(diphenylphosphino)propane]nickel(II) chloride in 300.0 mL of THF Conc.M mL of sol. 3. CH3MgI 166.24429 66.535 400.22 5 3 133.41 Dens. of sol. 1.261 g of sol. 168.23 Methylmagnesium iodide (3M in diethyl ether) 4. NH4Cl 53.4912 42.817 800.45 10 Ammonium chloride in 200.0 mL of Water Products MW Grams Mmoles Equiv %Yield Theo.(g) 1. C12H16 160.25904 11.4 71.135 1 88.869 12.828 (E)-3,3-Dimethyl-1-phenyl-1-butene To a one liter three-necked round bottomed flask was added...
19. Save this record to the Tutorial database:
a. Click the Update button.
b. Click the Yes button (or hit the Enter key).
c. Notice the Program Status Bar shows "Record 5 of 5".
Example 3
In this example you will use and existing record as a template to create a new record.
1. Search for a record in the database using the Record Name:
a. Click the Find button (or from the Reposition menu select Find Record).
b. In the "Select Field to Search" box click the option button to the left of the Record Name if it is not already selected.
c. In the "Input Text to Find" box type the Record Name NB14P028.
d. Click the OK button (or hit the Enter key).
e. Record "NB14P028" is displayed (Record 3 of 5).
2. You want to add a new record to the database using this record as a template.
a. Click the Add New button (or from the Edit menu select Add New Record).
b. In the "Add New Record" dialog box click the No button (or hit the Enter key).
c. The Reaction Name and Date are cleared and all other data remains.
d. In the "Name" box type NB14P031.
e. In the "Date" box type 1/15/96.
3. You want to run the reaction using 4.2 pounds of acetylacetone instead of 142.6 grams. You want to recalculate all Reactant amounts based on this value:
a. Click the blue "Grams" label two times and the "Pounds" label is displayed (or from the Labels Menu select Weight and from the drop-down menu select Pounds).
b. Click the "Pounds" box for Reactant 2 (Acetylacetone).
c. Click the OK button to set the box as the Base Value.
d. Change the value in the yellow "Pounds" box to 4.2.
e. Hit the Enter key.
f. Notice the amounts of Reactants 1, 3, 4 and 5 change accordingly.
4. You want to use 0.12 pounds of copper(I) bromide but you don't want to change the amounts of the other Reactants.
a. Click the "Pounds" box for Reactant 3 (copper(I) bromide).
b. Click the Solver button (or hit the Enter key).
c. In the "Input Value" box type 0.12.
d. Read the statement at the top of the box.
e. Click the OK button (or hit the Enter key).
f. The "Solver Adjusted Value" dialog box is displayed. The text box shows that the "Equivalents of Reactant 2" was adjusted to "0.2342189538 ". This value will give exactly 0.12 grams of copper(I) bromide.
g. The bold line below the text box shows the length of the "Equiv." box on the Reactants Page 1 screen. The remaining characters will scroll out of the box. This value may be edited if desired but for this example it should not be changed. All characters are included when the Print, Copy All Reactants, or Copy All Products options are used.
h. Click the OK button (or hit the Enter key).
i. The weight of copper(I) bromide and the adjusted equivalents values are displayed. A red flag appears in the "Equiv." box to indicate that undisplayed text is present.
j. Position the cursor over the red flag so that a double headed arrow appears and click (or position the cursor in the "Equiv." box and from the Edit menu select Expand Box).
k. The "Expanded Box" dialog box is displayed. The bold line below the text box shows the length of the Equivalents display box. Change the text to 0.234 so that it will be displayed completely on the screen.
l. Click the OK button (or hit the Enter key) and the dialog box closes.
m. The edited value "0.234" appears in the "Equiv." box and the Pounds, Mmoles, and mL values are recalculated to correspond to the change.
5. You want to insert morpholine as Reactant 4 without deleting the existing Reactant (sodium hydride).
a. Click any blue box associated with Reactant 4 (sodium hydride).
b. From the Edit menu select Insert Reactant.
c. In the space created for Reactant 4 type c4h9no in the "MF" box.
d. Hit the Tab key and read the message. The ambiguity is the lower case "no" part of the molecular formula. This could be the nobelium atom "No" or one nitrogen and one oxygen atom (NO). CIARA uses default settings to determine the interpretation that will be used. You can customize these settings using the "Set Ambiguous Atom" option.
e. Click the OK button and inspect the MF. Notice the molecular formula is correct. If you wanted to use the nobelium atom you must change the upper case "O" to lower case.
f. In the "Name" box type Morpholine.
g. In the "Equiv." box type 2.41.
h. Hit the Enter key.
6. You want to delete Reactant 5.
a. Click any blue box associated with Reactant 5 (sodium hydride).
b. From the Edit menu select Clear Reactant.
7. Save this record to the Tutorial database:
a. Click the Update button (or from the Edit menu select Update Record).
b. Click the Yes button (or hit the Enter) key.
c. Notice that the blank space created when you deleted sodium hydride is removed.
8. View the Elemental Analysis for Reactant 2:
a. Click any blue box associated with Reactant 2.
b. From the View menu select Elemental Analysis (or hit the F3 key).
c. Click the OK button (or hit the Enter key).
d. You can view the Elemental Analysis for any Reactant or Product.
If you input this record correctly the following information should be present:
NB14P031 1/15/97
Reactants MW Pounds Mmoles Equiv
1. C7H5BrO2 201.0195 0.71795 1620.0 1
2-Bromobenzoic acid
Dens. mL
2. C4H8O2 88.10632 4.2 21623 13.347 .975 1953.9
Acetylacetone
3. CuBr 143.45 0.11989 379.09 .234
Copper(I) bromide
4. C4H9NO 87.1216 0.74990 3904.3 2.41
Morpholine
Conc.M mL of sol.
5. HCl 36.46064 0.39066 4860.1 3 12 405.01
Hydrochloric acid (con.)
IV. Display
If boxes on the right side or lower edge of the Reactants Page 1, Reactants Page 2,
Products, or Experimental pages are cut off the Windows boarders may be too wide. To
change this setting:
a. Go to Program Manager.
b. Open the Control Panel.
c. Open Desktop.
d. In the "Sizing Grid" box set the Border Width to a smaller number (size 3 is recommended).
e. Click the OK button (or hit the Enter key).
f. Go to CIARA.
g. From the File menu select System Defaults.
The following options are not available in the demo version:
- New Database:
- This option allows you to create an unlimited number of databases.
- Open Database:
- This option opens an existing database. The demo version allows you to open the demo database only.
- Export Records:
- This option allows you to export records from the current database to a new or existing database.
- Import List:
- This option allows you to import a Materials List from another database. Imported Materials Lists are appended to the existing list and the entries are placed in alphabetic order.
- Print Options:
- These options allow you to print a record. The Reactants and Products data is printed in a convenient table format. Several print configuration options are available.
- Copy All Reactants/Products:
- This option allows you to copy the Reactants and/or Products in a table format that can be pasted into another application.
- Add List:
- This option allows you to add Materials to the Materials List along with physical properties and miscellaneous comments.
The Demo version is limited to ten records. Registered versions of CIARA allow you to add an unlimited number of records to each database.