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Propane
CAS: 74-98-6 | C3H8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-98-6
Molecular Formula:
C3H8
Molecular Mass:
44.10 g/mol
Names and Synonyms:
Propane
Propane
Dimethylmethane
Propyl hydride
R 290
n-Propane
Liquefied petroleum gas
LPG
HC 290
Purifrigor P 2
Purifrigor P 2.5
Purifrigor P 3
Purifrigor P 3.5
R 280
Identifiers:
SMILES:
CCC
InChI:
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
Key Properties
Boiling Point
-42.1 °C @ Press: 800 Torr
CAS Common Chemistry
Melting Point
-189.7 °C
CAS Common Chemistry
Density
0.59 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 | 44.10 g/mol | CAS Common Chemistry |
| 44.096999999999994 g/mol | RDKit | |
| 44.062600255999996 g/mol | RDKit | |
| Density | 0.59 g/cm³ | CAS Common Chemistry |
| 0.5853 g/cm3 @ Temp: -45 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propane | CAS Common Chemistry |
| Boiling Point | -42.1 °C @ Press: 800 Torr | CAS Common Chemistry |
| Canonical SMILES | CCC | CAS Common Chemistry |
| InChI | InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ATUOYWHBWRKTHZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -189.7 °C | CAS Common Chemistry |
| Name | Propane | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | 1.4163 | RDKit |
| Molar Refractivity | 15.965000000000003 | RDKit |
