Back to Search
1,2-Epoxytetradecane
CAS: 3234-28-4 | C14H28O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3234-28-4
Molecular Formula:
C14H28O
Molecular Mass:
212.38 g/mol
Names and Synonyms:
1,2-Epoxytetradecane
Oxirane, 2-dodecyl-
Tetradecane, 1,2-epoxy-
Oxirane, dodecyl-
2-Dodecyloxirane
Tetradecylene oxide
1,2-Epoxytetradecane
1-Tetradecene oxide
Dodecyloxirane
1,2-Tetradecylene oxide
1,2-Tetradecene oxide
(±)-1,2-Epoxytetradecane
(±)-Dodecyloxirane
Epoxide C 14
Vikolox 14
Vikolox C12
α-Tetradecene oxide
Identifiers:
SMILES:
CCCCCCCCCCCCC1CO1
InChI:
InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3
Key Properties
Boiling Point
95-96 °C @ Press: 0.4 Torr
CAS Common Chemistry
Melting Point
185-186 °C (decomp)
CAS Common Chemistry
Density
0.85 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 | 212.38 g/mol | CAS Common Chemistry |
| 212.37699999999995 g/mol | RDKit | |
| 212.214015516 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.845 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 95-96 °C @ Press: 0.4 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CC1CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IOHJQSFEAYDZGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185-186 °C (decomp) | CAS Common Chemistry |
| Name | 1,2-Epoxytetradecane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 4.696200000000004 | RDKit |
| Molar Refractivity | 66.20100000000006 | RDKit |
