(1E)-1-Buten-3-Yn-1-Ylbenzene
[CAS# 146276-26-8]

Identification

• Name: (1E)-1-Buten-3-Yn-1-Ylbenzene
• Synonyms: ((E)-But-1-en-3-ynyl)-benzene; (1E)-1-Buten-3-ynylbenzene #; benzene, (1E)-1-buten-3-ynyl-
• Molecular Formula: C₁₀H₈
• Molecular Weight: 128.17
• CAS Registry Number: 146276-26-8
• SMILES: C#C/C=C/C1=CC=CC=C1
• InChI: 1S/C10H8/c1-2-3-7-10-8-5-4-6-9-10/h1,3-9H/b7-3+
• InChIKey: FRSPRPODGOIJPJ-XVNBXDOJSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 197.3±19.0°C at 760 mmHg (Cal.)
• Flash point: 61.0±15.6°C (Cal.)
• Refractive index: 1.598 (Cal.)

References

• (1): Christian W. Müller, Josh J. Newby, Ching-Ping Liu, Chirantha P. Rodrigo and Timothy S. Zwier. Duschinsky mixing between four non-totally symmetric normal coordinates in the S–S vibronic structure of (E)-phenylvinylacetylene, Phys. Chem. Chem. Phys., 2010, 12, 2331.