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Ethylene Oxide
CAS: 75-21-8 | C2H4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-21-8
Molecular Formula:
C2H4O
Molecular Weight:
44.053 g/mol
Names and Synonyms:
Ethylene Oxide
Oxane
Oxyfume 2002
Mirror Ox
12/88
Ciba-Geigy 9138
Ethene oxide
Epoxyethane
Oxyfume
Oxyfume 12
T-Gas
Oxirene, dihydro-
Oxidoethane
Oxacyclopropane
ETO
1,2-Epoxyethane
Dimethylene oxide
Dihydrooxirene
Ethyleneoxy
Ethylene oxide
Oxirane
Identifiers:
SMILES:
C1CO1
InChI:
InChI=1S/C2H4O/c1-2-3-1/h1-2H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 44.053 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 44.026214748 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.016600000000000004 | RDKit |
| molecular_mass | 44.05 g/mol | Legacy Database |
| density | 0.88 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethylene_oxide None | Legacy Database |
| cas-boiling-point | 10.7 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O1CC1 None | Legacy Database |
| cas-density | 0.882 g/cm3 @ Temp: 10 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H4O/c1-2-3-1/h1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=IAYPIBMASNFSPL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -111 °C None | Legacy Database |
| cas-name | Ethylene oxide None | Legacy Database |
| wikipedia-name | Ethylene oxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.819 | RDKit |
