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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 Weight:
72.07600000000001 g/mol
Names and Synonyms:
Calcium Peroxide
Common Name
Ixper C
Synonym
Neocaloxo
Synonym
Calcium peroxide
Synonym
Calper G
Synonym
Calper
Synonym
Calcium oxide (CaO2)
Synonym
Calcium dioxide
Synonym
Calcium peroxide (Ca(O2))
Synonym
Identifiers:
SMILES:
[Ca+2].[O-][O-]
InChI:
InChI=1S/Ca.O2/c;1-2/q+2;-2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 72.08 g/mol | Legacy Database |
| density | 3.34 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_peroxide None | Legacy Database |
| cas-canonical-smile | O1O[Ca]1 None | Legacy Database |
| cas-density | 3.34 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/Ca.O2/c;1-2/q+2;-2 None | Legacy Database |
| cas-inchi-key | InChIKey=LHJQIRIGXXHNLA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 200 °C (decomp) None | Legacy Database |
| cas-name | Calcium peroxide None | Legacy Database |
| wikipedia-name | Calcium peroxide None | Legacy Database |
| LogP | -2.7588 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 72.07600000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 71.95242022000001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.12 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.754 | RDKit |