1,1'-(1,4-Butanediyl)Dibenzene
[CAS# 51001-35-5]

Identification

• Name: 1,1'-(1,4-Butanediyl)Dibenzene
• Synonyms: (4-phenylbutyl)benzene; (4-Phenylbutyl)benzene #; 1,1'-(1,4-Butanediyl)bisbenzene
• Molecular Formula: C₁₆H₁₈
• Molecular Weight: 210.31
• CAS Registry Number: 51001-35-5
• SMILES: C1=CC=C(C=C1)CCCCC2=CC=CC=C2
• InChI: 1S/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
• InChIKey: GLJFYGFBITUZOE-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 317.1±12.0°C at 760 mmHg (Cal.)
• Flash point: 151.3±10.3°C (Cal.)

References

• (1): Stefan Grimme, Christian Mück-Lichtenfeld and Jens Antony. Analysis of non-covalent interactions in (bio)organic molecules using orbital-partitioned localized MP2, Phys. Chem. Chem. Phys., 2008, 10, 3327.