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Ethane
CAS: 74-84-0 | C2H6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-84-0
Molecular Formula:
C2H6
Molecular Mass:
30.07 g/mol
Names and Synonyms:
Ethane
Ethane
Bimethyl
Dimethyl
Ethyl hydride
Methylmethane
R 170
R 170 (hydrocarbon)
Identifiers:
SMILES:
CC
InChI:
InChI=1S/C2H6/c1-2/h1-2H3
Key Properties
Boiling Point
-88 °C
CAS Common Chemistry
Melting Point
-172 °C
CAS Common Chemistry
Density
0.55 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 | 30.07 g/mol | CAS Common Chemistry |
| 30.046950192 g/mol | RDKit | |
| Density | 0.55 g/cm³ | CAS Common Chemistry |
| 0.5490 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethane | CAS Common Chemistry |
| Boiling Point | -88 °C | CAS Common Chemistry |
| Canonical SMILES | CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6/c1-2/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -172 °C | CAS Common Chemistry |
| Name | Ethane | 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 | 1.0262 | RDKit |
| Molar Refractivity | 11.348000000000003 | RDKit |
