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Molecule
Sodium Palmitate
CAS: 408-35-5 · C16H32NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 408-35-5
- Molecular Formula
- C16H32NaO2
- Molecular Mass
- 279.42 g/mol
Identifiers
CAS Registry Number
408-35-5
SMILES
CCCCCCCCCCCCCCCC(=O)O.[Na]
InChI Key
ZUWJMSFTDBLXRA-UHFFFAOYSA-N
InChI
InChI=1S/C16H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);
Names and Synonyms
- Sodium Palmitate Common Name
- Hexadecanoic acid, sodium salt (1:1) Synonym
- Palmitic acid, sodium salt Synonym
- Hexadecanoic acid, sodium salt Synonym
- Sodium palmitate Synonym
- Sodium pentadecanecarboxylate Synonym
- Sodium hexadecanoate Synonym
- C-Lube 16 Synonym
- Nonsoul PN 1 Synonym
- PN 1 Synonym
- C 16-98/100MY, sodium salt Synonym
- C16 Soap Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 279.42 g/mol | CAS Common Chemistry |
| 279.4199999999999 g/mol | RDKit | |
| 280.428 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18); | CAS Common Chemistry |
| InChI Key | InChIKey=ZUWJMSFTDBLXRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 270 °C | CAS Common Chemistry |
| Name | Sodium palmitate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 5.171500000000004 | RDKit |
| 5.1715 | RDKit | |
| Molar Refractivity | 83.70180000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9375 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 279.229999544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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MW = 279.42 g/mol. Edit any field — others recompute live.
