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Molecule
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
Identifiers
CAS Registry Number
682-30-4
SMILES
C=CP(=O)(OCC)OCC
InChI Key
DREPONDJUKIQLX-UHFFFAOYSA-N
InChI
InChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3
Names and Synonyms
- Diethyl Vinylphosphonate Common Name
- Phosphonic acid, P-ethenyl-, diethyl ester Synonym
- Phosphonic acid, vinyl-, diethyl ester Synonym
- Phosphonic acid, ethenyl-, diethyl ester Synonym
- Diethyl vinylphosphonate Synonym
- O,O-Diethyl vinylphosphonate Synonym
- Diethoxyphosphinylethene Synonym
- Vinylphosphonic acid diethyl ester Synonym
- Diethyl ethenylphosphonate Synonym
- 1-[Ethenyl(ethoxy)phosphoryl]oxyethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.14 g/mol | CAS Common Chemistry |
| 164.14099999999996 g/mol | RDKit | |
| 164.141 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0529 g/cm3 @ 20 °C | 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 |
| 2.396 | RDKit | |
| Molar Refractivity | 41.055500000000016 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 164.060230906 g/mol | RDKit |
| Boiling Point | 50 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 164.14 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
