Back to Search
Molecule
1-Tridecene
CAS: 2437-56-1 · C13H26
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2437-56-1
- Molecular Formula
- C13H26
- Molecular Mass
- 182.35 g/mol
Identifiers
CAS Registry Number
2437-56-1
SMILES
C=CCCCCCCCCCCC
InChI Key
VQOXUMQBYILCKR-UHFFFAOYSA-N
InChI
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
Names and Synonyms
- 1-Tridecene Synonym
- 1-Tridecene Synonym
- n-Tridec-1-ene Synonym
- α-Tridecene Synonym
- NSC 78473 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.35 g/mol | CAS Common Chemistry |
| 182.35099999999997 g/mol | RDKit | |
| 182.351 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7658 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 232.8 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VQOXUMQBYILCKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -13 °C | CAS Common Chemistry |
| Name | 1-Tridecene | 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 | 5.093300000000005 | RDKit |
| 5.0933 | RDKit | |
| 4.96 | chempirical lib | |
| Molar Refractivity | 62.041000000000054 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8462 | RDKit |
| 0.85 | chempirical lib | |
| Exact Mass | 182.203450832 g/mol | RDKit |
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 = 182.35 g/mol; density = 0.770 g/mL. Edit any field — others recompute live.
