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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 Weight:
64.1 g/mol
Names and Synonyms:
Calcium Carbide
Common Name
Ethyne, calcium deriv.
Synonym
Calcium acetylide
Synonym
Calcium carbide
Synonym
Calcium dicarbide
Synonym
Calcium acetylide (Ca(C2))
Synonym
Acetylenogen
Synonym
Calcium carbide (Ca(C2))
Synonym
Identifiers:
SMILES:
[C+]#[C-].[Ca]
InChI:
InChI=1S/C2.Ca/c1-2;
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 64.1 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 63.96259098 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 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 | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.21822000000000003 | RDKit |
| molecular_mass | 64.10 g/mol | Legacy Database |
| density | 2.22 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_carbide None | Legacy Database |
| cas-boiling-point | 138-140 °C @ Press: 3 Torr None | Legacy Database |
| cas-canonical-smile | C1#C[Ca]1 None | Legacy Database |
| cas-density | 2.22 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2.Ca/c1-2; None | Legacy Database |
| cas-inchi-key | InChIKey=ORQNSRQOGMSXIV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 2300 °C None | Legacy Database |
| cas-name | Calcium carbide None | Legacy Database |
| wikipedia-name | Calcium carbide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.239999999999998 | RDKit |