Back to Search
Molecule
Dibutyl Sebacate
CAS: 109-43-3 · C18H34O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 109-43-3
- Molecular Formula
- C18H34O4
- Molecular Mass
- 314.47 g/mol
Identifiers
CAS Registry Number
109-43-3
SMILES
CCCCOC(=O)CCCCCCCCC(=O)OCCCC
InChI Key
PYGXAGIECVVIOZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
Names and Synonyms
- Dibutyl Sebacate Synonym
- Decanedioic acid, 1,10-dibutyl ester Synonym
- Sebacic acid, dibutyl ester Synonym
- Decanedioic acid, dibutyl ester Synonym
- PX 404 Synonym
- Bis(n-butyl) sebacate Synonym
- Dibutyl sebacate Synonym
- Polycizer DBS Synonym
- Staflex DBS Synonym
- Kodaflex DBS Synonym
- Di-n-Butyl sebacate Synonym
- Ergoplast SDB Synonym
- Dibutyl decanedioate Synonym
- Sebacic acid di-n-butyl ester Synonym
- Uniflex DBS Synonym
- DBS Synonym
- Reomol DBS Synonym
- NSC 3893 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 314.47 g/mol | CAS Common Chemistry |
| 314.46600000000007 g/mol | RDKit | |
| 314.466 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9405 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibutyl_sebacate | CAS Common Chemistry |
| Boiling Point | 344.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCC)CCCCCCCCC(=O)OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PYGXAGIECVVIOZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -10 °C | CAS Common Chemistry |
| Name | Dibutyl sebacate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| 52.6 Ų | RDKit | |
| LogP | 4.7938000000000045 | RDKit |
| 4.7938 | RDKit | |
| Molar Refractivity | 88.67000000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 314.245709568 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 = 314.47 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H34O4.
