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Molecule
Capric Acid
CAS: 334-48-5 · C10H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 334-48-5
- Molecular Formula
- C10H20O2
- Molecular Mass
- 172.27 g/mol
Identifiers
CAS Registry Number
334-48-5
SMILES
CCCCCCCCCC(=O)O
InChI Key
GHVNFZFCNZKVNT-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
Names and Synonyms
- Capric Acid Common Name
- Decanoic acid Synonym
- Capric acid Synonym
- Decoic acid Synonym
- n-Decoic acid Synonym
- Decylic acid Synonym
- n-Decylic acid Synonym
- n-Capric acid Synonym
- 1-Nonanecarboxylic acid Synonym
- n-Decanoic acid Synonym
- Caprinic acid Synonym
- Caprynic acid Synonym
- Emery 659 Synonym
- Prifac 296 Synonym
- NAA 102 Synonym
- Prifac 2906 Synonym
- Lunac 10-95 Synonym
- Lunac 10-98 Synonym
- NSC 5025 Synonym
- Lunac 10-98E Synonym
- 1-Decanoic acid Synonym
- Palmac 99-10 Synonym
- Edenor C 10-98-100 Synonym
- Palamac 99-10 Synonym
- Caprates Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.27 g/mol | CAS Common Chemistry |
| 172.268 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.890 g/cm3 @ 40 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Capric_acid | CAS Common Chemistry |
| Boiling Point | 268.7 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 31.5 °C | CAS Common Chemistry |
| Name | Decanoic acid | CAS Common Chemistry |
| Capric acid | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.2117000000000013 | RDKit |
| 3.2117 | RDKit | |
| 3.27 | chempirical lib | |
| Molar Refractivity | 50.245800000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 172.14632988 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 = 172.27 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H20O2.
