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Molecule
Methane
CAS: 74-82-8 · CH4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 74-82-8
- Molecular Formula
- CH4
- Molecular Mass
- 16.04 g/mol
Identifiers
CAS Registry Number
74-82-8
SMILES
C
InChI Key
VNWKTOKETHGBQD-UHFFFAOYSA-N
InChI
InChI=1S/CH4/h1H4
Names and Synonyms
- Methane Common Name
- Methane Synonym
- Marsh gas Synonym
- Methyl hydride Synonym
- R 50 (refrigerant) Synonym
- R 50 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 16.04 g/mol | CAS Common Chemistry |
| 16.043 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methane | CAS Common Chemistry |
| Boiling Point | -161.4 °C | CAS Common Chemistry |
| Canonical SMILES | C | CAS Common Chemistry |
| Density | 0.466-0.477 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/CH4/h1H4 | CAS Common Chemistry |
| InChI Key | InChIKey=VNWKTOKETHGBQD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -182.6 °C | CAS Common Chemistry |
| Name | Methane | CAS Common Chemistry |
| Heavy Atom Count | 1 | 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 | 0.6361 | RDKit |
| 0.64 | chempirical lib | |
| Molar Refractivity | 6.731 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 16.031300127999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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MW = 16.04 g/mol. Edit any field — others recompute live.
