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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
Names and Synonyms:
1-Tridecene
1-Tridecene
n-Tridec-1-ene
α-Tridecene
NSC 78473
Identifiers:
SMILES:
C=CCCCCCCCCCCC
InChI:
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
Key Properties
Boiling Point
232.8 °C
CAS Common Chemistry
Melting Point
-13 °C
CAS Common Chemistry
Density
0.77 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 | 182.35 g/mol | CAS Common Chemistry |
| 182.35099999999997 g/mol | RDKit | |
| 182.203450832 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7658 g/cm3 @ Temp: 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 |
| Molar Refractivity | 62.041000000000054 | RDKit |
