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Molecule
Caprylic Acid
CAS: 124-07-2 · C8H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 124-07-2
- Molecular Formula
- C8H16O2
- Molecular Mass
- 144.21 g/mol
Identifiers
CAS Registry Number
124-07-2
SMILES
CCCCCCCC(=O)O
InChI Key
WWZKQHOCKIZLMA-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
Names and Synonyms
- Caprylic Acid Common Name
- Cg 100 Synonym
- Octanoic acid Synonym
- Caprylic acid Synonym
- n-Caprylic acid Synonym
- Neo-Fat 8 Synonym
- 1-Heptanecarboxylic acid Synonym
- n-Octoic acid Synonym
- Octylic acid Synonym
- n-Octylic acid Synonym
- n-Octanoic acid Synonym
- Lunac 8-95 Synonym
- NAA 82 Synonym
- Prifac 2901 Synonym
- Lunac 8-98 Synonym
- Neo-Fat 8S Synonym
- Kortacid 0899 Synonym
- Emery 657 Synonym
- NSC 5024 Synonym
- Edenor C 8-98-100 Synonym
- Cg 100 (fatty acid) Synonym
- Edenor 8-99MY Synonym
- Edenor C 8-99MY Synonym
- MCFA 8S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.21 g/mol | CAS Common Chemistry |
| 144.214 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.910 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Caprylic_acid | CAS Common Chemistry |
| Boiling Point | 239.7 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 16.7 °C | CAS Common Chemistry |
| Name | Octanoic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.4314999999999998 | RDKit |
| 2.4315 | RDKit | |
| 2.49 | chempirical lib | |
| Molar Refractivity | 41.0118 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 144.115029752 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 = 144.21 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16O2.
