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Molecule
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
Identifiers
CAS Registry Number
2495-25-2
SMILES
C=C(C)C(=O)OCCCCCCCCCCCCC
InChI Key
KEROTHRUZYBWCY-UHFFFAOYSA-N
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
Names and Synonyms
- Tridecyl Methacrylate Synonym
- 2-Propenoic acid, 2-methyl-, tridecyl ester Synonym
- Methacrylic acid, tridecyl ester Synonym
- 1-Tridecanol, methacrylate Synonym
- Tridecyl methacrylate Synonym
- 1-Tridecyl methacrylate Synonym
- SR 493 Synonym
- Light Ester TD Synonym
- SR 493D Synonym
- Acryester TD Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.44 g/mol | CAS Common Chemistry |
| 268.44099999999986 g/mol | RDKit | |
| 268.441 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8740 g/cm3 @ 20 °C | 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 |
| 5.4167 | RDKit | |
| 5.64 | chempirical lib | |
| Molar Refractivity | 82.23400000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8235 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 268.240230264 g/mol | RDKit |
| Boiling Point | 118 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 268.44 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
