1,3,5-Triheptylbenzene

1,3,5-Triheptylbenzene
Names
	Preferred IUPAC name 1,3,5-Triheptylbenzene
Identifiers
CAS Number	29536-29-6 ;
3D model (JSmol)	Interactive image;
PubChem CID	13215619;
CompTox Dashboard (EPA)	DTXSID601336527 ;
	InChI InChI=1S/C27H48/c1-4-7-10-13-16-19-25-22-26(20-17-14-11-8-5-2)24-27(23-25)21-18-15-12-9-6-3/h22-24H,4-21H2,1-3H3 Key: WOTYXTUCGMCWKS-UHFFFAOYSA-N;
	SMILES CCCCCCCc1cc(CCCCCCC)cc(CCCCCCC)c1;
Properties
Chemical formula	C27H48
Molar mass	372.681 g·mol−1
Density	0.855±0.06 g·cm−3
Boiling point	152–154 °C (425–427 K)（0.02 Torr）
Solubility in water	2.3×10−8 g·L−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

1,3,5-Triheptylbenzene (also called sym-triheptylbenzene) is an aromatic organic compound with a chemical formula C
₂₇H
₄₈ and molar mass 372.67 g/mol.^[1] It can be prepared by the hydrogenation reduction reaction of 1,1',1''-(benzene-1,3,5-triyl)tris(heptan-1-one).^[2] Alternatively, 1-nonyne trimerizes to 1,3,5-triheptylbenzene when catalyzed by rhodium trichloride.^[3]

References

^ ^a ^b ^c Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2019 ACD/Labs). Retrieved from SciFinder. [2019-10-31]
^ ^a ^b Eapen, Kalathil C.; Tamborski, Christ (1988). "Synthesis of 1,3,5-tri-n-alkylbenzene compounds". The Journal of Organic Chemistry. 53 (23): 5564–5567. doi:10.1021/jo00258a037. ISSN 0022-3263.
^ Agenet, Nicolas; Buisine, Olivier; Slowinski, Franck; Gandon, Vincent; Aubert, Corinne; Malacria, Max (2007-03-12). Cotrimerizations of Acetylenic Compounds. John Wiley & Sons, Inc. pp. 1–302. doi:10.1002/0471264180.or068.01. ISBN 9780471264187.

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[ACD-1] Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2019 ACD/Labs). Retrieved from SciFinder. [2019-10-31]

[Eapen-2] Eapen, Kalathil C.; Tamborski, Christ (1988). "Synthesis of 1,3,5-tri-n-alkylbenzene compounds". The Journal of Organic Chemistry. 53 (23): 5564–5567. doi:10.1021/jo00258a037. ISSN 0022-3263.

[3] Agenet, Nicolas; Buisine, Olivier; Slowinski, Franck; Gandon, Vincent; Aubert, Corinne; Malacria, Max (2007-03-12). Cotrimerizations of Acetylenic Compounds. John Wiley & Sons, Inc. pp. 1–302. doi:10.1002/0471264180.or068.01. ISBN 9780471264187.

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References

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