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Molecule
1,1-Diphenylethane
CAS: 612-00-0 · C14H14
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 612-00-0
- Molecular Formula
- C14H14
- Molecular Mass
- 182.27 g/mol
Identifiers
CAS Registry Number
612-00-0
SMILES
CC(c1ccccc1)c1ccccc1
InChI Key
BSZXAFXFTLXUFV-UHFFFAOYSA-N
InChI
InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
Names and Synonyms
- 1,1-Diphenylethane Systematic Name
- Benzene, 1,1′-ethylidenebis- Synonym
- Ethane, 1,1-diphenyl- Synonym
- Ethane, as-diphenyl- Synonym
- 1,1′-Ethylidenebis[benzene] Synonym
- 1,1-Diphenylethane Synonym
- Methyldiphenylmethane Synonym
- Pabsol 300 Synonym
- NSC 33534 Synonym
- (Ethane-1,1-diyl)dibenzene Synonym
- 1-Phenylethylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.27 g/mol | CAS Common Chemistry |
| 182.266 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.9997 g/cm3 @ 2 °C | CAS Common Chemistry | |
| Boiling Point | 272.6 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BSZXAFXFTLXUFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -17.9 °C | CAS Common Chemistry |
| Name | 1,1-Diphenylethane | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 3.8384000000000027 | RDKit |
| 3.8384 | RDKit | |
| Molar Refractivity | 60.40100000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 182.109550448 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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140
120
100
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40
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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MW = 182.27 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14.
