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Benzene,1,1'-(1Z,3Z)-1,3-butadiene-1,4-diylbis-

  • Name Benzene,1,1'-(1Z,3Z)-1,3-butadiene-1,4-diylbis-
  • EINECS212-952-6
  • CAS No. 5807-76-1
  • Density1.035 g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC16H14
  • Boiling Point367 °C at 760 mmHg
  • Molecular Weight206.287
  • Flash Point190 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 5807-76-1 (Benzene,1,1'-(1Z,3Z)-1,3-butadiene-1,4-diylbis-)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data36

Benzene,1,1'-(1Z,3Z)-1,3-butadiene-1,4-diylbis- Specification

The Benzene,1,1'-(1Z,3Z)-1,3-butadiene-1,4-diylbis-, with the CAS registry number 5807-76-1, is also known as 1,1'-(1Z,3Z)-Buta-1,3-diene-1,4-diyldibenzene. Its EINECS number is 212-952-6. This chemical's molecular formula is C16H14 and molecular weight is 206.28. What's more, its IUPAC name is [(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene.

Physical properties of Benzene,1,1'-(1Z,3Z)-1,3-butadiene-1,4-diylbis- are: (1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1935.6; (6)ACD/BCF (pH 7.4): 1935.6; (7)ACD/KOC (pH 5.5): 7839.71; (8)ACD/KOC (pH 7.4): 7839.71; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 72.97 cm3; (15)Molar Volume: 199.2 cm3; (16)Polarizability: 28.92×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.035 g/cm3; (19)Flash Point: 190 °C; (20)Enthalpy of Vaporization: 58.94 kJ/mol; (21)Boiling Point: 367 °C at 760 mmHg; (22)Vapour Pressure: 2.97E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(\C=C/c1ccccc1)=C\c2ccccc2
(2)Std. InChI: InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7-,14-8-
(3)Std. InChIKey: JFLKFZNIIQFQBS-PVRNWPCDSA-N

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