Back to Search
Molecule
Palmitic Anhydride
CAS: 623-65-4 · C32H62O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 623-65-4
- Molecular Formula
- C32H62O3
- Molecular Mass
- 494.85 g/mol
Identifiers
CAS Registry Number
623-65-4
SMILES
CCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCC
InChI Key
QWZBEFCPZJWDKC-UHFFFAOYSA-N
InChI
InChI=1S/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
Names and Synonyms
- Palmitic Anhydride Synonym
- Hexadecanoic acid, 1,1′-anhydride Synonym
- Palmitic anhydride Synonym
- Hexadecanoic acid, anhydride Synonym
- Hexadecanoic anhydride Synonym
- Palmitic acid anhydride Synonym
- Palmitoyl anhydride Synonym
- NSC 285112 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 494.85 g/mol | CAS Common Chemistry |
| 494.8450000000006 g/mol | RDKit | |
| 494.845 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8383 g/cm3 @ 83 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QWZBEFCPZJWDKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64 °C | CAS Common Chemistry |
| Name | Palmitic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 28 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 11.01879999999999 | RDKit |
| 11.0188 | RDKit | |
| 11.26 | chempirical lib | |
| Molar Refractivity | 151.72299999999981 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9375 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 494.46989584399995 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
Convert
Quick conversion
MW = 494.85 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
