Back to Search
Tridecane
CAS: 629-50-5 | C13H28
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
629-50-5
Molecular Formula:
C13H28
Molecular Mass:
184.37 g/mol
Names and Synonyms:
Tridecane
Tridecane
n-Tridecane
N 13 (paraffin)
N 13
NSC 66205
Paraffin N 13
Cactus Normal Paraffin N 13
Identifiers:
SMILES:
CCCCCCCCCCCCC
InChI:
InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
Key Properties
Boiling Point
235.4 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-5.3 °C
CAS Common Chemistry
Density
0.76 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 | 184.37 g/mol | CAS Common Chemistry |
| 184.36699999999996 g/mol | RDKit | |
| 184.219100896 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7564 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tridecane | CAS Common Chemistry |
| Boiling Point | 235.4 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IIYFAKIEWZDVMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -5.3 °C | CAS Common Chemistry |
| Name | Tridecane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.317300000000005 | RDKit |
| Molar Refractivity | 62.13500000000006 | RDKit |
