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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 Mass:
16.04 g/mol
Names and Synonyms:
Methane
Methane
Marsh gas
Methyl hydride
R 50 (refrigerant)
R 50
Identifiers:
SMILES:
C
InChI:
InChI=1S/CH4/h1H4
Key Properties
Boiling Point
-161.4 °C
CAS Common Chemistry
Melting Point
-182.6 °C
CAS Common Chemistry
Density
0.466-0.477 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 | 16.04 g/mol | CAS Common Chemistry |
| 16.043 g/mol | RDKit | |
| 16.031300127999998 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 |
| Molar Refractivity | 6.731 | RDKit |
