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Propadiene
CAS: 463-49-0 | C3H4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
463-49-0
Molecular Formula:
C3H4
Molecular Mass:
40.07 g/mol
Names and Synonyms:
Propadiene
1,2-Propadiene
Propadiene
Allene
sym-Allylene
Dimethylenemethane
Bis(methylene)methane
Identifiers:
SMILES:
C=C=C
InChI:
InChI=1S/C3H4/c1-3-2/h1-2H2
Key Properties
Boiling Point
-34.5 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-136 °C
CAS Common Chemistry
Density
1.79 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 | 40.07 g/mol | CAS Common Chemistry |
| 40.06499999999999 g/mol | RDKit | |
| 40.031300128 g/mol | RDKit | |
| Density | 1.79 g/cm³ | CAS Common Chemistry |
| 1.787 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propadiene | CAS Common Chemistry |
| Boiling Point | -34.5 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C(=C)=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H4/c1-3-2/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IYABWNGZIDDRAK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -136 °C | CAS Common Chemistry |
| Name | Allene | CAS Common Chemistry |
| Propadiene | 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 | 0.9572999999999999 | RDKit |
| Molar Refractivity | 14.767000000000001 | RDKit |
