Thermodynamic Properties of Thiophene

Recommended vapor pressures for thiophene, sulfolane, and dimethyl sulfoxide

“…6 and 7. As can be seen, the agreement of ideal gas heat capacities and standard molar entropies calculated using experimental fundamental vibrations [41] with TRC tables [42] and calorimetric values [22] is excellent. The TRC calculations [42] were based on the spectral data published prior to 1984 [36,38,[43][44][45].…”

“…Second run For thiophene, the recommendation by Zábranský et al [16] is based on data by Waddington et al [22] and Figuière et al [23]. Mutual agreement of the two data sets is within 1% and the uncertainty assigned by Zábranský et al [16] is 0.5%.…”

“…Waddington et al [22] reported three values in the temperature range from 318 to 357 K. These data were used in the SimCor method. Majer and Svoboda [32] assigned the uncertainty less than 0.25% to these data.…”

Infrared study of the C—H stretching region of five-membered heterocyclic compounds

“…Although the vibrational spectra of pyrrole (1-7), furan (6)(7)(8)(9)(10)(11)24), thiophene (6,10,(12)(13)(14)(15)(16)(17)(18), and selenophene (19)(20)(21)(22)(23) have been extensively investigated, considerable discrepancies in the assignment of the 3200-3000 cm-I region exist. This is due to a number of factors: (i) four fundamentals (two Al and two B2) must be assigned, but only two sharp peaks are usually observed both in the infrared and in the Raman spectra; (ii) the band profiles of the gas spectra are not well defined, especially in the case of pyrrole and furan; (iii) the Raman polarisation data are scanty and seem to be reliable only for thiophene (14) and selenophene (21).…”

Enthalpy of formation of thiophene derivatives

“…The following compounds with known experimental enthalpies of formation in the gas phase were used for this purpose [2][3][4][5][6][7][8][9][10][11][12][13]: thiophene-2-carbaldehyde (1), thiophene-3-carbaldehyde (2), 3-methylthiophene-2-carbaldehyde (3), 5-methylthiophene-2-carbaldehyde (4), 5-ethylthiophene-2-carbaldehyde (5), 2-acetylthiophene (6), 3-acetylthiophene (7), 2-acetyl-3-methylthiophene (8), 2-acetyl-4-methylthiophene (9), 2-acetyl-5-methylthiophene (10), 3-acetyl-2,5-dimethylthiophene (11), thiophene-2-carboxylic acid (12), thiophene-3-carboxylic acid (13), 3-methylthiophene-2-carboxylic acid (14), 5-methylthiophene-2-carboxylic acid (15) (Table 1), calculated by the PM3, MNDO, AM1, and MINDO methods correlate with the experimental results Δ f H 0 exp . The correlation coefficients were 0.9976, 0.9971, 0.9955, and 0.8022 respectively.…”