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Molecule
Nonadecylic Acid
CAS: 646-30-0 · C19H38O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 646-30-0
- Molecular Formula
- C19H38O2
- Molecular Mass
- 298.51 g/mol
Identifiers
CAS Registry Number
646-30-0
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O
InChI Key
ISYWECDDZWTKFF-UHFFFAOYSA-N
InChI
InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
Names and Synonyms
- Nonadecylic Acid Synonym
- Nonadecanoic acid Synonym
- n-Nonadecylic acid Synonym
- n-Nonadecanoic acid Synonym
- NSC 11914 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.51 g/mol | CAS Common Chemistry |
| 298.5109999999999 g/mol | RDKit | |
| 298.511 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nonadecylic_acid | CAS Common Chemistry |
| Boiling Point | 300 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21) | CAS Common Chemistry |
| InChI Key | InChIKey=ISYWECDDZWTKFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69.4 °C | CAS Common Chemistry |
| Name | Nonadecanoic acid | CAS Common Chemistry |
| Nonadecylic acid | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 6.722600000000007 | RDKit |
| 6.7226 | RDKit | |
| 6.78 | chempirical lib | |
| Molar Refractivity | 91.79880000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9474 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 298.287180456 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
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Quick conversion
MW = 298.51 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H38O2.
