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Molecule
Tetratriacontane
CAS: 14167-59-0 · C34H70
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14167-59-0
- Molecular Formula
- C34H70
- Molecular Mass
- 478.93 g/mol
Identifiers
CAS Registry Number
14167-59-0
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI Key
GWVDBZWVFGFBCN-UHFFFAOYSA-N
InChI
InChI=1S/C34H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
Names and Synonyms
- Tetratriacontane Common Name
- Tetratriacontane Synonym
- n-Tetratriacontane Synonym
- NSC 2998 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 478.93 g/mol | CAS Common Chemistry |
| 478.93400000000054 g/mol | RDKit | |
| 478.934 g/mol | RDKit | |
| Boiling Point | 483 °C | CAS Common Chemistry |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C34H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GWVDBZWVFGFBCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72.6 °C | CAS Common Chemistry |
| Name | Tetratriacontane | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 31 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 13.509399999999973 | RDKit |
| 13.5094 | RDKit | |
| 13.51 | chempirical lib | |
| Molar Refractivity | 159.09199999999973 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 478.54775224 g/mol | RDKit |
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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MW = 478.93 g/mol. Edit any field — others recompute live.
