Experimental and theoretical thermochemistry of β-tetralone

M. Agostinha R. Matos*, Clara C.S. Sousa, Victor M.F. Morais

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)


The standard (p{ring operator} = 0.1 MPa) molar enthalpy of formation β-tetralone was measured, at T = 298.15 K, by static bomb calorimetry and the standard molar enthalpy of vaporization, at T = 298.15 K, was obtained using Calvet microcalorimetry. These values were used to derive the standard molar enthalpy of formation of the compound in the gaseous phase, at T = 298.15 K, -(75.2 ± 2.5) kJ · mol-1. Additionally, high-level density functional theory calculations using the B3LYP hybrid exchange-correlation energy function with extended basis sets and more accurate correlated computational techniques of the MCCM/3 suite have been performed.

Original languageEnglish
Pages (from-to)1552-1557
Number of pages6
JournalJournal of Chemical Thermodynamics
Issue number11
Publication statusPublished - Nov 2008


Dive into the research topics of 'Experimental and theoretical thermochemistry of β-tetralone'. Together they form a unique fingerprint.

Cite this