Chemical Properties of Phenol, 2,6-dimethoxy-

InChI

InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3

InChI Key

KLIDCXVFHGNTTM-UHFFFAOYSA-N

Formula

C8H10O3

SMILES

COc1cccc(OC)c1O

Molecular Weight¹

154.17

Other Names

• 1,3-Dimethyl pyrogallate
• 1,3-dimethoxy-2-hydroxybenzene
• 1,3-dimethyl ether pyrogallol
• 2,6-Dimethoxyphenyl
• 2,6-Dwumetoksyfenol
• 2,6-dimethoxyphenol
• 2,6-dimethoxyphenol (syringol)
• 2-hydroxy-1,3-dimethoxybenzene
• Dimethoxyphenol
• Pyrogallol 1,3-dimethyl ether
• Pyrogallol dimethylether
• syringol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-4057.00	kJ/mol	NIST
ΔfH°gas	-405.33	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-518.40	kJ/mol	NIST
ΔfusH°	18.29	kJ/mol	Joback Calculated Property
ΔsubH°	98.40 ± 1.10	kJ/mol	NIST
ΔvapH°	76.33	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-1.19		Relay (1.0) Calculated Property
logPoct/wat	1.409		Crippen Calculated Property
McVol	117.430	ml/mol	McGowan Calculated Property
Inp	[230.09; 1367.00]
Inp	1347.00		NIST
Inp	1367.00		NIST
Inp	1357.00		NIST
Inp	1349.00		NIST
Inp	1357.00		NIST
Inp	1361.60		NIST
Inp	1365.00		NIST
Inp	1365.00		NIST
Inp	1355.20		NIST
Inp	1356.50		NIST
Inp	1357.00		NIST
Inp	1358.00		NIST
Inp	1309.00		NIST
Inp	1304.00		NIST
Inp	1319.00		NIST
Inp	1347.00		NIST
Inp	1353.00		NIST
Inp	1361.00		NIST
Inp	1362.00		NIST
Inp	1356.00		NIST
Inp	1353.00		NIST
Inp	1352.00		NIST
Inp	1355.00		NIST
Inp	1345.00		NIST
Inp	1345.00		NIST
Inp	1359.00		NIST
Inp	1345.00		NIST
Inp	1345.00		NIST
Inp	1355.00		NIST
Inp	1347.00		NIST
Inp	Outlier 230.09		NIST
Inp	Outlier 230.09		NIST
Inp	1319.00		NIST
Inp	1356.00		NIST
Inp	1345.00		NIST
Inp	1347.00		NIST
Ip	[2258.00; 2317.00]
Ip	2269.00		NIST
Ip	2296.00		NIST
Ip	2273.00		NIST
Ip	2276.00		NIST
Ip	2273.00		NIST
Ip	2264.00		NIST
Ip	2266.00		NIST
Ip	2264.00		NIST
Ip	2269.00		NIST
Ip	2269.00		NIST
Ip	2273.00		NIST
Ip	2271.00		NIST
Ip	2295.00		NIST
Ip	Outlier 2317.00		NIST
Ip	2284.00		NIST
Ip	2307.00		NIST
Ip	2303.00		NIST
Ip	2273.00		NIST
Ip	2307.00		NIST
Ip	2293.00		NIST
Ip	2296.00		NIST
Ip	2262.00		NIST
Ip	2269.00		NIST
Ip	2269.00		NIST
Ip	2272.00		NIST
Ip	2258.00		NIST
Ip	2274.00		NIST
Ip	2307.00		NIST
Tboil	[534.20; 537.70]	K
Tboil	534.20	K	NIST
Tboil	537.70	K	NIST
Tc	730.76	K	Relay (1.0) Calculated Property
Tfus	[326.40; 328.15]	K
Tfus	326.40	K	Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry
Tfus	328.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.18; 369.91]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.80900e+01
Coefficient B			6.53640e-01
Coefficient C			-4.09920e-04
Coefficient D			1.08100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.18	J/mol×K	273.00	Calculated Property
Cp,gas	202.81	J/mol×K	353.78	Calculated Property
Cp,gas	233.59	J/mol×K	434.56	Calculated Property
Cp,gas	260.86	J/mol×K	515.33	Calculated Property
Cp,gas	284.97	J/mol×K	596.11	Calculated Property
Cp,gas	306.24	J/mol×K	676.89	Calculated Property
Cp,gas	325.03	J/mol×K	757.67	Calculated Property
Cp,gas	341.68	J/mol×K	838.44	Calculated Property
Cp,gas	356.52	J/mol×K	919.22	Calculated Property
Cp,gas	369.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043470; 0.0000488]	Pa×s	[327.27; 533.33]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.70580e+01
Coefficient B			3.80284e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			327.27
Temperature range, max.			533.33
η	0.0043470	Pa×s	327.27	Calculated Property
η	0.0020335	Pa×s	350.17	Calculated Property
η	0.0010442	Pa×s	373.07	Calculated Property
η	0.0005792	Pa×s	395.96	Calculated Property
η	0.0003426	Pa×s	418.86	Calculated Property
η	0.0002140	Pa×s	441.75	Calculated Property
η	0.0001400	Pa×s	464.65	Calculated Property
η	0.0000953	Pa×s	487.54	Calculated Property
η	0.0000672	Pa×s	510.44	Calculated Property
η	0.0000488	Pa×s	533.33	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,6-dimethoxy-.

Mixtures

• Phenol, 2,6-dimethoxy- + Water

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Extraction of phenolic compounds from aqueous solution using choline bis(trifluoromethylsulfonyl)imide
• Phase equilibria of phenolic compounds in water or ethanol
• Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation
• Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
• Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry
• Thermochemical Study of the Methoxy- and Dimethoxyphenol Isomers
• Joback Method
• McGowan Method
• NIST Webbook

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