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Basic Information
CAS No.: 3029-40-1
Name: 1,8-DIPHENYL-1,3,5,7-OCTATETRAENE
Molecular Structure:
Molecular Structure of 3029-40-1 (1,8-DIPHENYL-1,3,5,7-OCTATETRAENE)
Formula: C20H18
Molecular Weight: 258.363
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;
EINECS: 221-198-7
Density: 1.023 g/cm3
Melting Point: 235-237℃
Boiling Point: 444.9 °C at 760 mmHg
Flash Point: 250.2 °C
Appearance: Yellow crystals or platelets
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 0.00000
LogP: 5.52560
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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