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1,1-Diphenylethane
CAS: 612-00-0 | C14H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
612-00-0
Molecular Formula:
C14H14
Molecular Mass:
182.27 g/mol
Names and Synonyms:
1,1-Diphenylethane
Benzene, 1,1′-ethylidenebis-
Ethane, 1,1-diphenyl-
Ethane, as-diphenyl-
1,1′-Ethylidenebis[benzene]
1,1-Diphenylethane
Methyldiphenylmethane
Pabsol 300
NSC 33534
(Ethane-1,1-diyl)dibenzene
1-Phenylethylbenzene
Identifiers:
SMILES:
CC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
Key Properties
Boiling Point
272.6 °C
CAS Common Chemistry
Melting Point
-17.9 °C
CAS Common Chemistry
Density
1.00 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.27 g/mol | CAS Common Chemistry |
| 182.266 g/mol | RDKit | |
| 182.109550448 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.9997 g/cm3 @ Temp: 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 |
| Molar Refractivity | 60.40100000000004 | RDKit |
