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Molecule
Dicyclohexyl Phthalate
CAS: 84-61-7 · C20H26O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 84-61-7
- Molecular Formula
- C20H26O4
- Molecular Mass
- 330.42 g/mol
Identifiers
CAS Registry Number
84-61-7
SMILES
O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1
InChI Key
VOWAEIGWURALJQ-UHFFFAOYSA-N
InChI
InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
Names and Synonyms
- Dicyclohexyl Phthalate Synonym
- 1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester Synonym
- Phthalic acid, dicyclohexyl ester Synonym
- 1,2-Benzenedicarboxylic acid, dicyclohexyl ester Synonym
- HF 191 Synonym
- Dicyclohexyl phthalate Synonym
- Ergoplast FDC Synonym
- Unimoll 66 Synonym
- Howflex CP Synonym
- Morflex 150 Synonym
- Edenol DCHP Synonym
- DCHP Synonym
- NSC 6101 Synonym
- Uniplex 250 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.42 g/mol | CAS Common Chemistry |
| 330.4240000000002 g/mol | RDKit | |
| 330.424 g/mol | RDKit | |
| Density | 1.38 g/cm³ | CAS Common Chemistry |
| 1.383 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OC1CCCCC1)C=2C=CC=CC2C(=O)OC3CCCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VOWAEIGWURALJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 66 °C | CAS Common Chemistry |
| Name | Dicyclohexyl phthalate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| 52.6 Ų | RDKit | |
| LogP | 4.665600000000004 | RDKit |
| 4.6656 | RDKit | |
| 4.48 | chempirical lib | |
| Molar Refractivity | 91.01900000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 330.183109312 g/mol | RDKit |
| Boiling Point | 222-228 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 330.42 g/mol; density = 1.380 g/mL. Edit any field — others recompute live.
