Back to Search
Diethyl Methylphosphonate
CAS: 683-08-9 | C5H13O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
683-08-9
Molecular Formula:
C5H13O3P
Molecular Weight:
152.12999999999997 g/mol
Names and Synonyms:
Diethyl Methylphosphonate
1-[Ethoxy(methyl)phosphoryl]oxyethane
Bis(diethoxyphosphinyl)methane
Diethoxymethylphosphine oxide
DEMP
O,O-Diethyl methylphosphonate
Diethyl methanephosphonate
Diethyl methylphosphonate
Phosphonic acid, methyl-, diethyl ester
Phosphonic acid, P-methyl-, diethyl ester
Identifiers:
SMILES:
CCOP(C)(=O)OCC
InChI:
InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 152.13 g/mol | Legacy Database |
| density | 1.07 g/cm³ | Legacy Database | |
| cas-boiling-point | 194 °C | Legacy Database | |
| cas-canonical-smile | O=P(OCC)(OCC)C | Legacy Database | |
| cas-density | 1.0726 g/cm3 @ Temp: 0 °C | Legacy Database | |
| cas-inchi | InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3 | Legacy Database | |
| cas-inchi-key | InChIKey=NYYLZXREFNYPKB-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Diethyl methylphosphonate | Legacy Database | |
| LogP | 1.8823 | RDKit | |
| Molecular | Molecular Weight | 152.12999999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.060230906 g/mol | RDKit |
| Heavy | Heavy Atom Count | 9 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 35.53 Ų | RDKit |
| Molar | Molar Refractivity | 36.7825 | RDKit |
