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Molecule
Palmitic Acid
CAS: 57-10-3 · C16H32O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 57-10-3
- Molecular Formula
- C16H32O2
- Molecular Mass
- 256.43 g/mol
Identifiers
CAS Registry Number
57-10-3
SMILES
CCCCCCCCCCCCCCCC(=O)O
InChI Key
IPCSVZSSVZVIGE-UHFFFAOYSA-N
InChI
InChI=1S/C16H32O2/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
- Palmitic Acid Synonym
- Hexadecanoic acid Synonym
- Palmitic acid Synonym
- n-Hexadecoic acid Synonym
- 1-Pentadecanecarboxylic acid Synonym
- Pentadecanecarboxylic acid Synonym
- n-Hexadecanoic acid Synonym
- Palmitinic acid Synonym
- Prifac 2960 Synonym
- Hydrofol Acid 1690 Synonym
- PA 900 Synonym
- Neo-Fat 16 Synonym
- Lunac P 95KC Synonym
- Emersol 143 Synonym
- Cetylic acid Synonym
- Hystrene 9016 Synonym
- NAA 160 Synonym
- Kortacid 1698 Synonym
- Lunac P 95 Synonym
- Loxiol EP 278 Synonym
- FA 1695 Synonym
- NSC 5030 Synonym
- Edenor C16 Synonym
- Pristerene 4934 Synonym
- Lunac P 98 Synonym
- V 1695 Synonym
- Kortacid 1695 Synonym
- A 1600 Synonym
- Edenor C 16-98-100 Synonym
- Palmac 98-16 Synonym
- Imex C 1498 Synonym
- Palmitates Synonym
- Cetostearic acid Synonym
- (E)-[p-((1,2-Dihydroxypropyloxy)-p′-(propargyloxy)] azobenzene Synonym
- Edenor C16-98MY Synonym
- PS 1618 Synonym
- Vetec Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.43 g/mol | CAS Common Chemistry |
| 256.4299999999999 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8527 g/cm3 @ 62 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Palmitic_acid | CAS Common Chemistry |
| Boiling Point | 351.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H32O2/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=IPCSVZSSVZVIGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61.8 °C | CAS Common Chemistry |
| Name | Palmitic acid | CAS Common Chemistry |
| Heavy Atom Count | 18 | 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 | 5.552300000000005 | RDKit |
| 5.5523 | RDKit | |
| 5.61 | chempirical lib | |
| Molar Refractivity | 77.94780000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9375 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 256.240230264 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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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MW = 256.43 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H32O2.
