Back to Search
Molecule
Undecane
CAS: 1120-21-4 · C11H24
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1120-21-4
- Molecular Formula
- C11H24
- Molecular Mass
- 156.31 g/mol
Identifiers
CAS Registry Number
1120-21-4
SMILES
CCCCCCCCCCC
InChI Key
RSJKGSCJYJTIGS-UHFFFAOYSA-N
InChI
InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
Names and Synonyms
- Undecane Synonym
- Undecane Synonym
- Hendecane Synonym
- n-Undecane Synonym
- Halpaclean Synonym
- Nikko Elace Synonym
- N 11 Synonym
- NSC 66159 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.31 g/mol | CAS Common Chemistry |
| 156.313 g/mol | RDKit | |
| Density | 0.74 g/cm³ | CAS Common Chemistry |
| 0.7402 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Undecane | CAS Common Chemistry |
| Canonical SMILES | CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RSJKGSCJYJTIGS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -25.6 °C | CAS Common Chemistry |
| Name | Undecane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.537100000000004 | RDKit |
| 4.5371 | RDKit | |
| 4.54 | chempirical lib | |
| Molar Refractivity | 52.90100000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 156.187800768 g/mol | RDKit |
| Boiling Point | 195.9 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 156.31 g/mol; density = 0.740 g/mL. Edit any field — others recompute live.
