Back to Search
Sodium Caprate
CAS: 1002-62-6 | C10H20NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1002-62-6
Molecular Formula:
C10H20NaO2
Molecular Mass:
195.26 g/mol
Names and Synonyms:
Sodium Caprate
Decanoic acid, sodium salt (1:1)
Decanoic acid, sodium salt
Sodium caprinate
Sodium decanoate
Sodium caprate
Sodium decanoic acid
Capric acid sodium salt
Identifiers:
SMILES:
CCCCCCCCCC(=O)O.[Na]
InChI:
InChI=1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);
Key Properties
Melting Point
318 °C
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 | 195.26 g/mol | CAS Common Chemistry |
| 195.258 g/mol | RDKit | |
| 195.13609916 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12); | CAS Common Chemistry |
| InChI Key | InChIKey=CTTKODQWVMTOPW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 318 °C | CAS Common Chemistry |
| Name | Sodium caprate | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 2.8309000000000006 | RDKit |
| Molar Refractivity | 55.999800000000036 | RDKit |
