Back to Search
Tridecyl Methacrylate
CAS: 2495-25-2 | C17H32O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2495-25-2
Molecular Formula:
C17H32O2
Molecular Mass:
268.44 g/mol
Names and Synonyms:
Tridecyl Methacrylate
2-Propenoic acid, 2-methyl-, tridecyl ester
Methacrylic acid, tridecyl ester
1-Tridecanol, methacrylate
Tridecyl methacrylate
1-Tridecyl methacrylate
SR 493
Light Ester TD
SR 493D
Acryester TD
Identifiers:
SMILES:
C=C(C)C(=O)OCCCCCCCCCCCCC
InChI:
InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3/h2,4-15H2,1,3H3
Key Properties
Boiling Point
118 °C @ Press: 1 Torr
CAS Common Chemistry
Density
0.87 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 | 268.44 g/mol | CAS Common Chemistry |
| 268.44099999999986 g/mol | RDKit | |
| 268.240230264 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8740 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 118 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCCCCCCCCCCC)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3/h2,4-15H2,1,3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KEROTHRUZYBWCY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tridecyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 5.416700000000006 | RDKit |
| Molar Refractivity | 82.23400000000007 | RDKit |
