Back to Search
Propylene
CAS: 115-07-1 | C3H6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
115-07-1
Molecular Formula:
C3H6
Molecular Mass:
42.08 g/mol
Names and Synonyms:
Propylene
1-Propene
Propene
Methylethylene
Propylene
1-Propylene
R 1270
HC 1270
N 25
N 25 (olefin)
Identifiers:
SMILES:
C=CC
InChI:
InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
Key Properties
Boiling Point
-48 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-185 °C
CAS Common Chemistry
Density
0.50 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 | 42.08 g/mol | CAS Common Chemistry |
| 42.080999999999996 g/mol | RDKit | |
| 42.046950192 g/mol | RDKit | |
| Density | 0.50 g/cm³ | CAS Common Chemistry |
| 0.5 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propylene | CAS Common Chemistry |
| Boiling Point | -48 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=CC | CAS Common Chemistry |
| InChI | InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QQONPFPTGQHPMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -185 °C | CAS Common Chemistry |
| Name | Propylene | 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 | 1.1923 | RDKit |
| Molar Refractivity | 15.871000000000002 | RDKit |
