Back to Search
1-Pentadecene
CAS: 13360-61-7 | C15H30
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13360-61-7
Molecular Formula:
C15H30
Molecular Mass:
210.40 g/mol
Names and Synonyms:
1-Pentadecene
1-Pentadecene
NSC 77125
Identifiers:
SMILES:
C=CCCCCCCCCCCCCC
InChI:
InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3
Key Properties
Boiling Point
268.2 °C
CAS Common Chemistry
Melting Point
-2.8 °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 | 210.40 g/mol | CAS Common Chemistry |
| 210.40499999999994 g/mol | RDKit | |
| 210.23475095999999 g/mol | RDKit | |
| Density | 0.78 g/cm³ | CAS Common Chemistry |
| 0.7769 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 268.2 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PJLHTVIBELQURV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -2.8 °C | CAS Common Chemistry |
| Name | 1-Pentadecene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.873500000000005 | RDKit |
| Molar Refractivity | 71.27500000000006 | RDKit |
