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Molecule
Diphenylmethane
CAS: 101-81-5 · C13H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 101-81-5
- Molecular Formula
- C13H12
- Molecular Mass
- 168.24 g/mol
Identifiers
CAS Registry Number
101-81-5
SMILES
c1ccc(Cc2ccccc2)cc1
InChI Key
CZZYITDELCSZES-UHFFFAOYSA-N
InChI
InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
Names and Synonyms
- Diphenylmethane Common Name
- Benzene, 1,1′-methylenebis- Synonym
- Methane, diphenyl- Synonym
- 1,1′-Methylenebis[benzene] Synonym
- Benzylbenzene Synonym
- Diphenylmethane Synonym
- Ditan Synonym
- Ditane Synonym
- Benzene, (phenylmethyl)- Synonym
- NSC 4708 Synonym
- DPM Synonym
- 1,1-Diphenylmethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.24 g/mol | CAS Common Chemistry |
| 168.239 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.007 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylmethane | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CZZYITDELCSZES-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 25.9 °C | CAS Common Chemistry |
| Name | Diphenylmethane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.277400000000002 | RDKit |
| 3.2774 | RDKit | |
| Molar Refractivity | 55.69000000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 168.093900384 g/mol | RDKit |
| Boiling Point | 264.5 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 168.24 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12.
