Chemical Properties of Phenol, 3,5-dimethoxy- (CAS 500-99-2)

InChI

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

InChI Key

XQDNFAMOIPNVES-UHFFFAOYSA-N

Formula

C8H10O3

SMILES

COc1cc(O)cc(OC)c1

Molecular Weight¹

154.16

CAS

500-99-2

Other Names

• 1-Hydroxy-3,5-dimethoxybenzene
• 1-hydroxy-3,5-dimethyloxybenzene
• 3,5-dimethoxyphenol
• Taxicatigenin
• phloroglucinol dimethyl ether

• 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_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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-399.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.29	kJ/mol	Joback Calculated Property
ΔsubH°	101.10 ± 2.30	kJ/mol	NIST
ΔvapH°	84.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-2.00		Relay (1.0) Calculated Property
logPoct/wat	1.409		Crippen Calculated Property
McVol	117.430	ml/mol	McGowan Calculated Property
Inp	[1472.00; 1531.00]
Inp	1531.00		NIST
Inp	1472.00		NIST
I	[2848.00; 2858.00]
I	2848.00		NIST
I	2858.00		NIST
I	2848.00		NIST
Tboil	552.31	K	Relay (1.0) Calculated Property
Tfus	378.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[268.47; 325.95]	J/mol×K	[539.76; 761.91]
Cp,gas	268.47	J/mol×K	539.76	Joback Calculated Property
Cp,gas	279.47	J/mol×K	576.78	Joback Calculated Property
Cp,gas	289.86	J/mol×K	613.81	Joback Calculated Property
Cp,gas	299.67	J/mol×K	650.83	Joback Calculated Property
Cp,gas	308.93	J/mol×K	687.86	Joback Calculated Property
Cp,gas	317.68	J/mol×K	724.88	Joback Calculated Property
Cp,gas	325.95	J/mol×K	761.91	Joback Calculated Property
η	[0.0000448; 0.0009897]	Pa×s	[375.04; 539.76]
η	0.0009897	Pa×s	375.04	Joback Calculated Property
η	0.0004956	Pa×s	402.49	Joback Calculated Property
η	0.0002711	Pa×s	429.95	Joback Calculated Property
η	0.0001594	Pa×s	457.40	Joback Calculated Property
η	0.0000996	Pa×s	484.85	Joback Calculated Property
η	0.0000654	Pa×s	512.31	Joback Calculated Property
η	0.0000448	Pa×s	539.76	Joback Calculated Property
ΔvapH	101.10	kJ/mol	298.15	Thermochemical Study of the Methoxy- and Dimethoxyphenol Isomers

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Phenol, 3,5-dimethoxy-.

Sources

• 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
• Thermochemical Study of the Methoxy- and Dimethoxyphenol Isomers
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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