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Molecule
Dibutyl Ether
CAS: 142-96-1 · C8H18O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 142-96-1
- Molecular Formula
- C8H18O
- Molecular Mass
- 130.23 g/mol
Identifiers
CAS Registry Number
142-96-1
SMILES
CCCCOCCCC
InChI Key
DURPTKYDGMDSBL-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
Names and Synonyms
- Dibutyl Ether Common Name
- Butane, 1,1′-oxybis- Synonym
- Butyl ether Synonym
- 1,1′-Oxybis[butane] Synonym
- Di-n-butyl ether Synonym
- Dibutyl oxide Synonym
- n-Butyl ether Synonym
- Dibutyl ether Synonym
- Butyl oxide Synonym
- NSC 8459 Synonym
- n-Bu2O Synonym
- 1-Butoxybutane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.23 g/mol | CAS Common Chemistry |
| 130.231 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7684 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibutyl_ether | CAS Common Chemistry |
| Boiling Point | 140.2 °C | CAS Common Chemistry |
| Canonical SMILES | O(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DURPTKYDGMDSBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -95.2 °C | CAS Common Chemistry |
| Name | Butyl ether | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.603200000000001 | RDKit |
| 2.6032 | RDKit | |
| Molar Refractivity | 40.635000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 130.135765196 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
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Quick conversion
MW = 130.23 g/mol; density = 0.770 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18O.
