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Molecule
Calcium Carbide
CAS: 75-20-7 · C2Ca
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-20-7
- Molecular Formula
- C2Ca
- Molecular Mass
- 64.10 g/mol
Identifiers
CAS Registry Number
75-20-7
SMILES
[C+]#[C-].[Ca]
InChI Key
ORQNSRQOGMSXIV-UHFFFAOYSA-N
InChI
InChI=1S/C2.Ca/c1-2;
Names and Synonyms
- Calcium Carbide Common Name
- Calcium carbide (Ca(C2)) Synonym
- Acetylenogen Synonym
- Calcium acetylide (Ca(C2)) Synonym
- Calcium dicarbide Synonym
- Calcium carbide Synonym
- Calcium acetylide Synonym
- Ethyne, calcium deriv. Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 64.10 g/mol | CAS Common Chemistry |
| 64.1 g/mol | RDKit | |
| 68.132 g/mol | chempirical lib | |
| Density | 2.22 g/cm³ | CAS Common Chemistry |
| 2.22 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_carbide | CAS Common Chemistry |
| Canonical SMILES | C1#C[Ca]1 | CAS Common Chemistry |
| InChI | InChI=1S/C2.Ca/c1-2; | CAS Common Chemistry |
| InChI Key | InChIKey=ORQNSRQOGMSXIV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2300 °C | CAS Common Chemistry |
| Name | Calcium carbide | 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 | -0.21822000000000003 | RDKit |
| -0.2182 | RDKit | |
| Molar Refractivity | 12.239999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 63.96259098 g/mol | RDKit |
| Boiling Point | 138-140 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 64.10 g/mol; density = 2.220 g/mL. Edit any field — others recompute live.
