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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
Names and Synonyms:
Capric Acid
Decanoic acid
Capric acid
Decoic acid
n-Decoic acid
Decylic acid
n-Decylic acid
n-Capric acid
1-Nonanecarboxylic acid
n-Decanoic acid
Caprinic acid
Caprynic acid
Emery 659
Prifac 296
NAA 102
Prifac 2906
Lunac 10-95
Lunac 10-98
NSC 5025
Lunac 10-98E
1-Decanoic acid
Palmac 99-10
Edenor C 10-98-100
Palamac 99-10
Caprates
Identifiers:
SMILES:
CCCCCCCCCC(=O)O
InChI:
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
Key Properties
Boiling Point
268.7 °C
CAS Common Chemistry
Melting Point
31.5 °C
CAS Common Chemistry
Density
0.89 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.27 g/mol | CAS Common Chemistry |
| 172.268 g/mol | RDKit | |
| 172.14632988 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.890 g/cm3 @ Temp: 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 |
| Molar Refractivity | 50.245800000000024 | RDKit |
