Back to Search
Calcium Iodide
CAS: 10102-68-8 | CaI2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10102-68-8
Molecular Formula:
CaI2
Molecular Mass:
293.89 g/mol
Names and Synonyms:
Calcium Iodide
Calcium iodide (CaI2)
Calcium iodide
Yokaron
Calcium diiodide
Identifiers:
SMILES:
[Ca+2].[I-].[I-]
InChI:
InChI=1S/Ca.2HI/h;2*1H/q+2;;/p-2
Key Properties
Boiling Point
1100 °C
CAS Common Chemistry
Melting Point
740 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 293.89 g/mol | CAS Common Chemistry |
| 293.88599999999997 g/mol | RDKit | |
| 293.77153698 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_iodide | CAS Common Chemistry |
| Boiling Point | 1100 °C | CAS Common Chemistry |
| Canonical SMILES | I[Ca]I | CAS Common Chemistry |
| InChI | InChI=1S/Ca.2HI/h;2*1H/q+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=UNMYWSMUMWPJLR-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 740 °C | CAS Common Chemistry |
| Name | Calcium iodide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -6.3728 | RDKit |
| Molar Refractivity | 5.754 | RDKit |
