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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
Names and Synonyms:
Undecane
Undecane
Hendecane
n-Undecane
Halpaclean
Nikko Elace
N 11
NSC 66159
Identifiers:
SMILES:
CCCCCCCCCCC
InChI:
InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
Key Properties
Boiling Point
195.9 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-25.6 °C
CAS Common Chemistry
Density
0.74 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 | 156.31 g/mol | CAS Common Chemistry |
| 156.313 g/mol | RDKit | |
| 156.187800768 g/mol | RDKit | |
| Density | 0.74 g/cm³ | CAS Common Chemistry |
| 0.7402 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Undecane | CAS Common Chemistry |
| Boiling Point | 195.9 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 52.90100000000004 | RDKit |
