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Molecule
Calcium Peroxide
CAS: 1305-79-9 · CaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1305-79-9
- Molecular Formula
- CaO2
- Molecular Mass
- 72.08 g/mol
Identifiers
CAS Registry Number
1305-79-9
SMILES
[Ca+2].[O-][O-]
InChI Key
LHJQIRIGXXHNLA-UHFFFAOYSA-N
InChI
InChI=1S/Ca.O2/c;1-2/q+2;-2
Names and Synonyms
- Calcium Peroxide Common Name
- Calcium peroxide (Ca(O2)) Synonym
- Calcium dioxide Synonym
- Calcium oxide (CaO2) Synonym
- Calper Synonym
- Calper G Synonym
- Calcium peroxide Synonym
- Neocaloxo Synonym
- Ixper C Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.08 g/mol | CAS Common Chemistry |
| 72.07600000000001 g/mol | RDKit | |
| 72.076 g/mol | RDKit | |
| 76.108 g/mol | chempirical lib | |
| Density | 3.34 g/cm³ | CAS Common Chemistry |
| 3.34 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_peroxide | CAS Common Chemistry |
| Canonical SMILES | O1O[Ca]1 | CAS Common Chemistry |
| InChI | InChI=1S/Ca.O2/c;1-2/q+2;-2 | CAS Common Chemistry |
| InChI Key | InChIKey=LHJQIRIGXXHNLA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200 °C (decomp) | CAS Common Chemistry |
| Name | Calcium peroxide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.12 Ų | RDKit |
| LogP | -2.7588 | RDKit |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 71.95242022000001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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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.
External Resources
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MW = 72.08 g/mol; density = 3.340 g/mL. Edit any field — others recompute live.
