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Decyl Acrylate
CAS: 2156-96-9 | C13H24O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2156-96-9
Molecular Formula:
C13H24O2
Molecular Mass:
212.33 g/mol
Names and Synonyms:
Decyl Acrylate
2-Propenoic acid, decyl ester
Acrylic acid, decyl ester
Decyl acrylate
NSC 5929
n-Decyl acrylate
Identifiers:
SMILES:
C=CC(=O)OCCCCCCCCCC
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
Key Properties
Boiling Point
158 °C @ Press: 50 Torr
CAS Common Chemistry
Density
0.88 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 | 212.33 g/mol | CAS Common Chemistry |
| 212.33299999999994 g/mol | RDKit | |
| 212.177630008 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8781 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 158 °C @ Press: 50 Torr | 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 |
| Molar Refractivity | 63.76600000000005 | RDKit |
