Back to Search
Molecule
Ethyl Propyl Ether
CAS: 628-32-0 · C5H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 628-32-0
- Molecular Formula
- C5H12O
- Molecular Mass
- 88.15 g/mol
Identifiers
CAS Registry Number
628-32-0
SMILES
CCCOCC
InChI Key
NVJUHMXYKCUMQA-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3
Names and Synonyms
- Ethyl Propyl Ether Synonym
- Propane, 1-ethoxy- Synonym
- Ether, ethyl propyl Synonym
- 1-Ethoxypropane Synonym
- Ethyl propyl ether Synonym
- Propyl ethyl ether Synonym
- Ethyl n-propyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.15 g/mol | CAS Common Chemistry |
| 88.14999999999999 g/mol | RDKit | |
| Density | 0.73 g/cm³ | CAS Common Chemistry |
| 0.7330 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 63.2 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NVJUHMXYKCUMQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -127.5 °C | CAS Common Chemistry |
| Name | Ethyl propyl ether | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.4329 | RDKit |
| Molar Refractivity | 26.78399999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 88.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 88.15 g/mol; density = 0.730 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12O.
