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Decane
CAS: 124-18-5 | C10H22
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-18-5
Molecular Formula:
C10H22
Molecular Mass:
142.29 g/mol
Names and Synonyms:
Decane
Decane
n-Decane
Cactus Normal Paraffin N 10
NSC 8781
Identifiers:
SMILES:
CCCCCCCCCC
InChI:
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
Key Properties
Boiling Point
174.1 °C
CAS Common Chemistry
Melting Point
-29.7 °C
CAS Common Chemistry
Density
0.73 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 | 142.29 g/mol | CAS Common Chemistry |
| 142.286 g/mol | RDKit | |
| 142.172150704 g/mol | RDKit | |
| Density | 0.73 g/cm³ | CAS Common Chemistry |
| 0.7300 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Decane | CAS Common Chemistry |
| Boiling Point | 174.1 °C | CAS Common Chemistry |
| Canonical SMILES | CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DIOQZVSQGTUSAI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -29.7 °C | CAS Common Chemistry |
| Name | Decane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.147000000000004 | RDKit |
| Molar Refractivity | 48.28400000000003 | RDKit |
