Verevkin, Sergey P. published the artcileWeaving a Network of Reliable Thermochemistry around Lignin Building Blocks: Methoxy-Phenols and Methoxy-Benzaldehydes, Application of 1,3-Dimethoxybenzene, the main research area is thermochem lignin methoxyphenol methoxybenzaldehyde sublimation vaporization.
The methoxy, hydroxy, and carbonyl substituted benzenes are the simplest fragments from the lignin separation feedstocks. Extensive exptl. thermochem. studies of these compounds were carried out, including combustion calorimetry, vapor pressure measurements and differential scanning calorimetry. We have collected available primary exptl. results on enthalpies of formation and vapor pressures as well as on phase transitions liquid-gas, liquid-solid, crystal-liquid These data were evaluated using empirical, semiempirical and quantum chem. methods. The consistent sets of evaluated thermodn. data were used to design the method for predicting enthalpies of vaporization and enthalpies of formation of di- and trisubstituted benzenes. It is expected that parameters and pairwise interactions will be transferable to predict the thermochem. properties of poly methoxy-substituted and poly hydroxy-substituted benzenes that appear in reaction products of lignin transformations in the value-adding chems. and materials. Comparison of the Exptl. (ΔfHmo(g)exp) and Theor. (ΔfHmo(g)theor) Standard Molar Gas-Phase Enthalpies of Formation Substituted Benzenes at T = 298.15 K and p° = 0.1 MPa (in kJ·mol-1)compoundΔfHmo(g)expG4G4G3MP2G3MP2M06/QZ4PM06/QZ4PΔfHmo(g)theorExp. ATWBRATWBRATWBRaverage2,3-dimethoxyphenol-393.0 ± 2.1-389.5-390.2-390.2-391.4—390.3 ± 2.42,4-dimethoxyphenol-398.3 ± 2.8-397.2-397.9-397.5-398.6-394.4-396.7-397.1 ± 2.42,5-dimethoxyphenol–397.8-398.5-397.8-398.9-395.3-397.6-396.9 ± 2.42,6-dimethoxyphenol-384.8 ± 1.9-388.9-389.5-388.8-390.0-386.6-388.7-388.9 ± 2.03,4-dimethoxyphenol-380.9 ± 3.3-380.5-381.2-379.9-381.0-379.2-381.1-380.5 ± 2.03,5-dimethoxyphenol-401.2 ± 1.7-402.0-402.7-401.4-402.5-401.7-404.2-402.4 ± 2.42,3-dimethoxybenzaldehyde–323.4-323.9-324.0-325.5-319.2-318.0-322.8 ± 2.82,4-dimethoxybenzaldehyde-346.9 ± 1.8-347.3-347.8-347.4-348.7-350.3-349.9-348.6 ± 2.02,5-dimethoxybenzaldehyde-338.1 ± 2.2-337.5-338.0-337.9-339.2-339.0-338.3-338.3 ± 2.12,6-dimethoxybenzaldehyde–323.1-323.6-322.6-324.1-325.9-324.9-324.0 ± 2.03,4-dimethoxybenzaldehyde-343.1 ± 2.4-341.2-341.7-340.6-342.0-344.0-343.5-342.2 ± 2.23,5-dimethoxybenzaldehyde–349.6-350.1-349.3-350.6-350.8-350.5-350.2 ± 2.01,2-dimethoxybenzene-206.0 ± 3.1-209.4-211.3-209.1-211.4-207.8-210.9-210.0 ± 2.41,3-dimethoxybenzene-223.6 ± 1.9-224.2-226.0-223.8-226.0-222.9-226.4-224.8 ± 2.61,4-dimethoxybenzene-216.2 ± 0.9-216.0-217.8-216.1-218.4-214.8-218.1-216.9 ± 2.42-methoxyphenol-247.3 ± 1.8-247.3-249.4-247.9-250.1-244.0-248.2-247.8 ± 3.63-methoxyphenol-241.2 ± 1.2-244.8-247.0-244.5-246.7-243.3-247.5-245.6 ± 2.84-methoxyphenol-234.3 ± 1.3-236.2-238.4-236.3-238.6-234.4-238.3-237.0 ± 2.82-methoxy-benzaldehyde-190.1 ± 2.7-185.7-184.3-185.9-184.8-185.2 ± 2.43-methoxy-ben. The uncertainties are given as the twice standard deviation. Calculated by the G4, G3MP2, or M06/QZ4P method according to the standard atomization procedure and corrected with empirical equations specific for each method (see text). Calculated by the G4, G3MP2 or M06/QZ4P method with help of reactions or using exptl. ΔfHmo(g)-values for the reaction participants (see Table S7). Numerical data for reactions and are given in Tables S11 and S12 in ESI. Numerical data for dimethoxy-benzenes (R-21), methoxy-phenols (R-22), and methoxy-benzaldehydes (R-23) are also given in Tables S13-S15 in ESI.
Industrial & Engineering Chemistry Research published new progress about Combustion enthalpy. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Application of 1,3-Dimethoxybenzene.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem