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Molecule
Tetradecane
CAS: 629-59-4 · C14H30
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 629-59-4
- Molecular Formula
- C14H30
- Molecular Mass
- 198.39 g/mol
Identifiers
CAS Registry Number
629-59-4
SMILES
CCCCCCCCCCCCCC
InChI Key
BGHCVCJVXZWKCC-UHFFFAOYSA-N
InChI
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
Names and Synonyms
- Tetradecane Common Name
- Tetradecane Synonym
- n-Tetradecane Synonym
- NSC 72440 Synonym
- Rubitherm RT 2 Synonym
- Cactus Normal Paraffin N 14 Synonym
- N 14 Synonym
- Linpar 14 Synonym
- Parafol 14-97 Synonym
- TS Paraffin TS 4 Synonym
- TS 4 Synonym
- Linpar 14-99 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.39 g/mol | CAS Common Chemistry |
| 198.39399999999995 g/mol | RDKit | |
| 198.394 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7628 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetradecane | CAS Common Chemistry |
| Canonical SMILES | CCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BGHCVCJVXZWKCC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5.9 °C | CAS Common Chemistry |
| Name | Tetradecane | 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 | 5.707400000000006 | RDKit |
| 5.7074 | RDKit | |
| 5.71 | chempirical lib | |
| Molar Refractivity | 66.75200000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 198.23475095999999 g/mol | RDKit |
| Boiling Point | 253.7 °C @ 760 Torr | CAS Common Chemistry |
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
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Quick conversion
MW = 198.39 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
