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Molecule
Decyl Acrylate
CAS: 2156-96-9 · C13H24O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2156-96-9
- Molecular Formula
- C13H24O2
- Molecular Mass
- 212.33 g/mol
Identifiers
CAS Registry Number
2156-96-9
SMILES
C=CC(=O)OCCCCCCCCCC
InChI Key
FWLDHHJLVGRRHD-UHFFFAOYSA-N
InChI
InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,2-3,5-12H2,1H3
Names and Synonyms
- Decyl Acrylate Synonym
- 2-Propenoic acid, decyl ester Synonym
- Acrylic acid, decyl ester Synonym
- Decyl acrylate Synonym
- NSC 5929 Synonym
- n-Decyl acrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.33 g/mol | CAS Common Chemistry |
| 212.33299999999994 g/mol | RDKit | |
| 212.333 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8781 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCCCCCCCCCC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,2-3,5-12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FWLDHHJLVGRRHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Decyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.8563000000000027 | RDKit |
| 3.8563 | RDKit | |
| 4.08 | chempirical lib | |
| Molar Refractivity | 63.76600000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7692 | RDKit |
| 0.77 | chempirical lib | |
| Exact Mass | 212.177630008 g/mol | RDKit |
| Boiling Point | 158 °C @ 50 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 212.33 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H24O2.
