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Methane
CAS: 74-82-8 | CH4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-82-8
Molecular Formula:
CH4
Molecular Weight:
16.043 g/mol
Names and Synonyms:
Methane
Common Name
R 50
Synonym
R 50 (refrigerant)
Synonym
Methyl hydride
Synonym
Marsh gas
Synonym
Methane
Synonym
Identifiers:
SMILES:
C
InChI:
InChI=1S/CH4/h1H4
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 16.04 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methane None | Legacy Database |
| cas-boiling-point | -161.4 °C None | Legacy Database |
| cas-canonical-smile | C None | Legacy Database |
| cas-density | 0.466-0.477 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CH4/h1H4 None | Legacy Database |
| cas-inchi-key | InChIKey=VNWKTOKETHGBQD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -182.6 °C None | Legacy Database |
| cas-name | Methane None | Legacy Database |
| wikipedia-name | Methane None | Legacy Database |
| LogP | 0.6361 | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 6.731 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 16.043 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 16.031300127999998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 1 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 |