Back to Search
1-Hexadecene
CAS: 629-73-2 | C16H32
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
629-73-2
Molecular Formula:
C16H32
Molecular Mass:
224.43 g/mol
Names and Synonyms:
1-Hexadecene
1-Hexadecene
1-Cetene
Cetene
n-Hexadec-1-ene
α-Hexadecene
Dialen 16
1-n-Hexadecene
Neodene 16
NeoSolv 6
NSC 60602
Linealene 16
LAO-C 16
Identifiers:
SMILES:
C=CCCCCCCCCCCCCCC
InChI:
InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
Key Properties
Boiling Point
284.4 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
4.1 °C
CAS Common Chemistry
Density
0.78 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 | 224.43 g/mol | CAS Common Chemistry |
| 224.43199999999993 g/mol | RDKit | |
| 224.25040102399998 g/mol | RDKit | |
| Density | 0.78 g/cm³ | CAS Common Chemistry |
| 0.7811 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Hexadecene | CAS Common Chemistry |
| Boiling Point | 284.4 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GQEZCXVZFLOKMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 4.1 °C | CAS Common Chemistry |
| Name | 1-Hexadecene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.263600000000006 | RDKit |
| Molar Refractivity | 75.89200000000007 | RDKit |
