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Acetylene
CAS: 74-86-2 | C2H2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-86-2
Molecular Formula:
C2H2
Molecular Weight:
26.037999999999997 g/mol
Names and Synonyms:
Acetylene
Synonym
Ethyne
Synonym
Acetylene
Synonym
Vinylene
Synonym
Ethine
Synonym
Narcylen
Synonym
Identifiers:
SMILES:
C#C
InChI:
InChI=1S/C2H2/c1-2/h1-2H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| 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 | 26.037999999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 26.015650064 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 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 | 0.24939999999999998 | RDKit |
| molecular_mass | 26.04 g/mol | Legacy Database |
| density | 0.62 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Acetylene None | Legacy Database |
| cas-boiling-point | -84.0 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | C#C None | Legacy Database |
| cas-density | 0.6208 g/cm3 @ Temp: -82 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H2/c1-2/h1-2H None | Legacy Database |
| cas-inchi-key | InChIKey=HSFWRNGVRCDJHI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -80.8 °C None | Legacy Database |
| cas-name | Acetylene None | Legacy Database |
| wikipedia-name | Acetylene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 9.89 | RDKit |