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Molecule
Bibenzyl
CAS: 103-29-7 · C14H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 103-29-7
- Molecular Formula
- C14H14
- Molecular Mass
- 182.27 g/mol
Identifiers
CAS Registry Number
103-29-7
SMILES
c1ccc(CCc2ccccc2)cc1
InChI Key
QWUWMCYKGHVNAV-UHFFFAOYSA-N
InChI
InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
Names and Synonyms
- Bibenzyl Common Name
- Benzene, 1,1′-(1,2-ethanediyl)bis- Synonym
- Bibenzyl Synonym
- 1,1′-(1,2-Ethanediyl)bis[benzene] Synonym
- Dibenzyl Synonym
- Ethane, 1,2-diphenyl- Synonym
- Dibenzil Synonym
- 1,2-Diphenylethane Synonym
- sym-Diphenylethane Synonym
- Dihydrostilbene Synonym
- NSC 30686 Synonym
- NSC 8789 Synonym
- Ethylenebis[benzene] Synonym
- 1,2-Dihydrostilbene Synonym
- (2-Phenylethyl)benzene Synonym
- 2-Phenylethylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.27 g/mol | CAS Common Chemistry |
| 182.26600000000002 g/mol | RDKit | |
| 182.266 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1011 g/cm3 @ 46 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bibenzyl | CAS Common Chemistry |
| Boiling Point | 284 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)CCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QWUWMCYKGHVNAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52.5 °C | CAS Common Chemistry |
| Name | Dibenzyl | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.4718000000000018 | RDKit |
| 3.4718 | RDKit | |
| Molar Refractivity | 60.29200000000004 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
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
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Quick conversion
MW = 182.27 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14.
