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1-Pentadecanol
CAS: 629-76-5 | C15H32O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
629-76-5
Molecular Formula:
C15H32O
Molecular Mass:
228.42 g/mol
Names and Synonyms:
1-Pentadecanol
1-Pentadecanol
Pentadecanol
Pentadecyl alcohol
n-1-Pentadecanol
n-Pentadecanol
Alfol 15
NSC 66446
Identifiers:
SMILES:
CCCCCCCCCCCCCCCO
InChI:
InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
Key Properties
Boiling Point
122-125 °C @ Press: 0.35 Torr
CAS Common Chemistry
Melting Point
45-46 °C
CAS Common Chemistry
Density
0.84 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 | 228.42 g/mol | CAS Common Chemistry |
| 228.41999999999993 g/mol | RDKit | |
| 228.24531564400002 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8364 g/cm3 @ Temp: 22.4 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Pentadecanol | CAS Common Chemistry |
| Boiling Point | 122-125 °C @ Press: 0.35 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=REIUXOLGHVXAEO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45-46 °C | CAS Common Chemistry |
| Name | 1-Pentadecanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 5.069900000000006 | RDKit |
| Molar Refractivity | 72.78080000000006 | RDKit |
