Back to Search
Hexadecyl Acrylate
CAS: 13402-02-3 | C19H36O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13402-02-3
Molecular Formula:
C19H36O2
Molecular Mass:
296.49 g/mol
Names and Synonyms:
Hexadecyl Acrylate
2-Propenoic acid, hexadecyl ester
Cetyl acrylate
n-Hexadecyl acrylate
NSC 72788
Photomer 4816
Hexadecanyl acrylate
CD 585
Blemmer CA
Acrylic acid, hexadecyl ester
1-Hexadecanol, acrylate
Palmityl acrylate
Hexadecyl acrylate
Identifiers:
SMILES:
C=CC(=O)OCCCCCCCCCCCCCCCC
InChI:
InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h4H,2-3,5-18H2,1H3
Key Properties
Boiling Point
148 °C @ Press: 0.04 Torr
CAS Common Chemistry
Melting Point
24 °C
CAS Common Chemistry
Density
0.86 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 | 296.49 g/mol | CAS Common Chemistry |
| 296.495 g/mol | RDKit | |
| 296.271530392 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8628 g/cm3 @ Temp: 30 °C | CAS Common Chemistry | |
| Boiling Point | 148 °C @ Press: 0.04 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCCCCCCCCCCCCCC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h4H,2-3,5-18H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PZDUWXKXFAIFOR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24 °C | CAS Common Chemistry |
| Name | Hexadecyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 6.1969000000000065 | RDKit |
| Molar Refractivity | 91.46800000000007 | RDKit |
