Thermochemical data for methoxy-substituted benzenes at T = 298.15 K (p° = 0.1 MPa, in kJ mol⁻¹)^a.

Compound	−ΔcHom(cr,l)	ΔfHom(cr,l)exp	Δgcr,lHomb	ΔfHom(g)exp	ΔfHom(g)theorc
1	2	3	4	5	6
1,2,3-Tri-methoxy-benzene (cr)	4819.5 ± 2.5 (ref. 8)	−437.0 ± 2.8
	4817.7 ± 1.8d	−438.9 ± 2.1
		−438.2 ± 1.7	92.2 ± 1.0	−346.0 ± 2.0	−350.6 ± 2.4
1,2,4-Tri-methoxy-benzene (liq)	−4820.1 ± 1.9d	−436.5 ± 2.2	75.9 ± 0.7	−360.6 ± 2.3	−360.6 ± 2.3
1,3,5-Tri-methoxy-benzene (cr)	4784.6 ± 2.9 (ref. 8)	−472.0 ± 3.1	90.4 ± 0.8	−381.6 ± 3.2	−382.1 ± 1.2
3,4,5-Tri-methoxy-toluene (liq)	−5475.0 ± 2.0d	−460.9 ± 2.4	77.7 ± 0.7	−383.2 ± 2.5	−382.1 ± 1.2

^aThe uncertainties are given as the twice standard deviation. Value given in bold is the weighted average and it was used for thermochemical calculations.

^bFrom Table 2.

^cTheoretical value calculated as the average from G4, G3MP2, and M06/QZ4P results (see Table 8).

^dMeasured in this work.