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1-Tetradecene
CAS: 1120-36-1 | C14H28
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1120-36-1
Molecular Formula:
C14H28
Molecular Mass:
196.38 g/mol
Names and Synonyms:
1-Tetradecene
1-Tetradecene
n-Tetradec-1-ene
α-Tetradecene
1-Butadecene
Dialen 14
Neodene 14
NeoSolv 4
NSC 66434
Linealene 14
Identifiers:
SMILES:
C=CCCCCCCCCCCCC
InChI:
InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3
Key Properties
Boiling Point
232-234 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-12 °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 | 196.38 g/mol | CAS Common Chemistry |
| 196.37799999999996 g/mol | RDKit | |
| 196.219100896 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7745 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 232-234 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HFDVRLIODXPAHB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -12 °C | CAS Common Chemistry |
| Name | 1-Tetradecene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.483400000000005 | RDKit |
| Molar Refractivity | 66.65800000000006 | RDKit |
