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Molecule
1,1′-Biphenyl, Mixt. With 1,1′-Oxybis[Benzene]
CAS: 8004-13-5 · C24H20O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 8004-13-5
- Molecular Formula
- C24H20O
- Molecular Mass
- 324.42 g/mol
Identifiers
CAS Registry Number
8004-13-5
SMILES
c1ccc(-c2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1
InChI Key
MHCVCKDNQYMGEX-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O.C12H10/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H;1-10H
Names and Synonyms
- 1,1′-Biphenyl, Mixt. With 1,1′-Oxybis[Benzene] Synonym
- 1,1′-Biphenyl, mixt. with 1,1′-oxybis[benzene] Synonym
- Benzene, 1,1′-oxybis-, mixt. contg. Synonym
- Dowtherm Synonym
- Dinil Synonym
- Dowtherm A Synonym
- Biphenyl-diphenyl ether mixture Synonym
- Biphenyl-phenyl ether mixture Synonym
- Dinyl Synonym
- Diphyl Synonym
- Therminol VP Synonym
- Therminol VP 1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.42 g/mol | CAS Common Chemistry |
| 324.423 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.06 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 257 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)C=2C=CC=CC2.C=1C=CC(=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O.C12H10/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H;1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=MHCVCKDNQYMGEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 12.2 °C | CAS Common Chemistry |
| Name | 1,1′-Biphenyl, mixt. with 1,1′-oxybis[benzene] | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 6.832500000000004 | RDKit |
| 6.8325 | RDKit | |
| Molar Refractivity | 104.83600000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 324.15141526 g/mol | RDKit |
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 = 324.42 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
