3-Buten-1-Yn-1-Ylbenzene
[CAS# 13633-26-6]

Identification

• Name: 3-Buten-1-Yn-1-Ylbenzene
• Synonyms: but-3-en-1-yn-1-ylbenzene
• Molecular Formula: C₁₀H₈
• Molecular Weight: 128.17
• CAS Registry Number: 13633-26-6
• SMILES: C=CC#Cc1ccccc1
• InChI: 1S/C10H8/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1H2
• InChIKey: GDELZQKEFMWYKA-UHFFFAOYSA-N

Properties

• Density: 0.954g/cm³ (Cal.)
• Boiling point: 191.608°C at 760 mmHg (Cal.)
• Flash point: 57.539°C (Cal.)
• Refractive index: 1.554 (Cal.)

References

• (1): Joshua A. Sebree, Vadim V. Kislov, Alexander M. Mebel and Timothy S. Zwier. Isomer specific spectroscopy of CH, n = 8–12: Exploring pathways to naphthalene in Titan's atmosphere, Faraday Discuss., 2010, 147, 231.