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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 Mass:
26.04 g/mol
Names and Synonyms:
Acetylene
Ethyne
Acetylene
Vinylene
Ethine
Narcylen
Identifiers:
SMILES:
C#C
InChI:
InChI=1S/C2H2/c1-2/h1-2H
Key Properties
Boiling Point
-84.0 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-80.8 °C
CAS Common Chemistry
Density
0.62 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 26.04 g/mol | CAS Common Chemistry |
| 26.037999999999997 g/mol | RDKit | |
| 26.015650064 g/mol | RDKit | |
| Density | 0.62 g/cm³ | CAS Common Chemistry |
| 0.6208 g/cm3 @ Temp: -82 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acetylene | CAS Common Chemistry |
| Boiling Point | -84.0 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C#C | CAS Common Chemistry |
| InChI | InChI=1S/C2H2/c1-2/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=HSFWRNGVRCDJHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -80.8 °C | CAS Common Chemistry |
| Name | Acetylene | CAS Common Chemistry |
| Heavy Atom Count | 2 | 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 | 0.24939999999999998 | RDKit |
| Molar Refractivity | 9.89 | RDKit |
