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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
Names and Synonyms:
Tetradecane
Tetradecane
n-Tetradecane
NSC 72440
Rubitherm RT 2
Cactus Normal Paraffin N 14
N 14
Linpar 14
Parafol 14-97
TS Paraffin TS 4
TS 4
Linpar 14-99
Identifiers:
SMILES:
CCCCCCCCCCCCCC
InChI:
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
Key Properties
Boiling Point
253.7 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
5.9 °C
CAS Common Chemistry
Density
0.76 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 | 198.39 g/mol | CAS Common Chemistry |
| 198.39399999999995 g/mol | RDKit | |
| 198.23475095999999 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7628 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetradecane | CAS Common Chemistry |
| Boiling Point | 253.7 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 66.75200000000007 | RDKit |
