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Molecule
Enanthic Acid
CAS: 111-14-8 · C7H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 111-14-8
- Molecular Formula
- C7H14O2
- Molecular Mass
- 130.19 g/mol
Identifiers
CAS Registry Number
111-14-8
SMILES
CCCCCCC(=O)O
InChI Key
MNWFXJYAOYHMED-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
Names and Synonyms
- Enanthic Acid Synonym
- Heptanoic acid Synonym
- Enanthic acid Synonym
- Enanthylic acid Synonym
- n-Heptoic acid Synonym
- Heptylic acid Synonym
- 1-Hexanecarboxylic acid Synonym
- n-Heptylic acid Synonym
- Oenanthic acid Synonym
- Oenanthylic acid Synonym
- Heptoic acid Synonym
- n-Heptanoic acid Synonym
- NSC 2192 Synonym
- Enanthoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.19 g/mol | CAS Common Chemistry |
| 130.187 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9181 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Enanthic_acid | CAS Common Chemistry |
| Boiling Point | 222.2 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=MNWFXJYAOYHMED-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -7.5 °C | CAS Common Chemistry |
| Name | Heptanoic acid | CAS Common Chemistry |
| Enanthic acid | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.0414 | RDKit |
| 2.1 | chempirical lib | |
| Molar Refractivity | 36.39479999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 130.099379688 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 = 130.19 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14O2.
