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Cas Database |
| Name |
Benzene,1,1'-(1,3,5,7-octatetraene-1,8-diyl)bis- |
EINECS | 221-198-7 |
| CAS No. | 3029-40-1 | Density | 1.023 g/cm3 |
| PSA | 0.00000 | LogP | 5.52560 |
| Solubility | N/A | Melting Point |
235-237℃ |
| Formula | C20H18 | Boiling Point | 444.9 °C at 760 mmHg |
| Molecular Weight | 258.363 | Flash Point | 250.2 °C |
| Transport Information | N/A | Appearance | Yellow crystals or platelets |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
1,3,5,7-Octatetraene, 1,8-diphenyl-, (all-E)-;1,8-Diphenyl-1,3,5,7-octatetraene;1,8-Diphenyloctatetraene;Benzene, 1,1'-(1,3,5,7-octatetraene-1,8-diyl)bis-;α,ω-Diphenyloctatetraene; |
Article Data | 27 |
Benzene,1,1'-(1,3,5,7-octatetraene-1,8-diyl)bis- Specification
The Benzene,1,1'-(1,3,5,7-octatetraene-1,8-diyl)bis-, with the CAS registry number 3029-40-1, is also known as 1,8-Diphenyl-1,3,5,7-octatetraene. It belongs to the product category of Miscellaneous. Its EINECS number is 221-198-7. This chemical's molecular formula is C20H18 and molecular weight is 258.36. What's more, its systematic name is 1,8-Diphenylocta-1,3,5,7-tetraene.
Physical properties of Benzene,1,1'-(1,3,5,7-octatetraene-1,8-diyl)bis- are: (1)ACD/LogP: 5.72; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 91.61 cm3; (9)Molar Volume: 252.5 cm3; (10)Polarizability: 36.31×10-24cm3; (11)Surface Tension: 41.8 dyne/cm; (12)Density: 1.023 g/cm3; (13)Flash Point: 250.2 °C; (14)Enthalpy of Vaporization: 67.57 kJ/mol; (15)Boiling Point: 444.9 °C at 760 mmHg; (16)Vapour Pressure: 1.08E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C(\C=C\c1ccccc1)=C/C=C/C=C/c2ccccc2
(2)Std. InChI: InChI=1S/C20H18/c1(3-7-13-19-15-9-5-10-16-19)2-4-8-14-20-17-11-6-12-18-20/h1-18H/b3-1+,4-2+,13-7+,14-8+
(3)Std. InChIKey: ZENGMMQJMCPHTK-FPPPDJHPSA-N
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