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Diethyl Vinylphosphonate
CAS: 682-30-4 | C6H13O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
682-30-4
Molecular Formula:
C6H13O3P
Molecular Mass:
164.14 g/mol
Names and Synonyms:
Diethyl Vinylphosphonate
Phosphonic acid, P-ethenyl-, diethyl ester
Phosphonic acid, vinyl-, diethyl ester
Phosphonic acid, ethenyl-, diethyl ester
Diethyl vinylphosphonate
O,O-Diethyl vinylphosphonate
Diethoxyphosphinylethene
Vinylphosphonic acid diethyl ester
Diethyl ethenylphosphonate
1-[Ethenyl(ethoxy)phosphoryl]oxyethane
Identifiers:
SMILES:
C=CP(=O)(OCC)OCC
InChI:
InChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3
Key Properties
Boiling Point
50 °C @ Press: 1 Torr
CAS Common Chemistry
Density
1.05 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 | 164.14 g/mol | CAS Common Chemistry |
| 164.14099999999996 g/mol | RDKit | |
| 164.060230906 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0529 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 50 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OCC)(OCC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DREPONDJUKIQLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diethyl vinylphosphonate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 2.396000000000001 | RDKit |
| Molar Refractivity | 41.055500000000016 | RDKit |
