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Diethylphosphite
CAS: 762-04-9 | C4H11O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
762-04-9
Molecular Formula:
C4H11O3P
Molecular Weight:
138.10299999999998 g/mol
Names and Synonyms:
Diethylphosphite
NSC 2665
Diethoxyphosphine oxide
Diethyl acid phosphite
Hydrogen diethyl phosphite
Diethyl phosphonate
Diethyl hydrogen phosphite
Diethyl phosphite
Ethyl phosphite, (EtO)2(HO)P
Phosphonic acid, diethyl ester
Identifiers:
SMILES:
CCO[PH](=O)OCC
InChI:
InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 138.10 g/mol | Legacy Database |
| density | 1.07 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Diethylphosphite None | Legacy Database |
| cas-boiling-point | 138 °C None | Legacy Database |
| cas-canonical-smile | O=P(OCC)OCC None | Legacy Database |
| cas-density | 1.072 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MJUJXFBTEFXVKU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <25 °C None | Legacy Database |
| cas-name | Diethyl phosphite None | Legacy Database |
| wikipedia-name | Diethylphosphite None | Legacy Database |
| LogP | 1.4490999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.10299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.04458084200002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.25349999999999 | RDKit |
