Chemical Properties of 3,5-Dimethoxy-4-hydroxybenzyl alcohol (CAS 530-56-3)

InChI

InChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3

InChI Key

LUOAEJWSKPQLJD-UHFFFAOYSA-N

Formula

C9H12O4

SMILES

COc1cc(CO)cc(OC)c1O

Molecular Weight¹

184.19

CAS

530-56-3

Other Names

• 4-Hydroxy-3,5-dimethoxybenzyl alcohol
• Benzenemethanol, 4-hydroxy-3,5-dimethoxy-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[204.45; 437.13]	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			3.67710e+01
Coefficient B			7.23140e-01
Coefficient C			-4.27680e-04
Coefficient D			1.04900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.45	J/mol×K	273.00	Calculated Property
Cp,gas	243.72	J/mol×K	353.78	Calculated Property
Cp,gas	278.86	J/mol×K	434.56	Calculated Property
Cp,gas	310.21	J/mol×K	515.33	Calculated Property
Cp,gas	338.09	J/mol×K	596.11	Calculated Property
Cp,gas	362.84	J/mol×K	676.89	Calculated Property
Cp,gas	384.78	J/mol×K	757.67	Calculated Property
Cp,gas	404.26	J/mol×K	838.44	Calculated Property
Cp,gas	421.60	J/mol×K	919.22	Calculated Property
Cp,gas	437.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011690; 0.0000122]	Pa×s	[404.15; 604.64]	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			-2.05220e+01
Coefficient B			5.56533e+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.			404.15
Temperature range, max.			604.64
η	0.0011690	Pa×s	404.15	Calculated Property
η	0.0005694	Pa×s	426.43	Calculated Property
η	0.0002979	Pa×s	448.70	Calculated Property
η	0.0001657	Pa×s	470.98	Calculated Property
η	0.0000972	Pa×s	493.26	Calculated Property
η	0.0000597	Pa×s	515.53	Calculated Property
η	0.0000382	Pa×s	537.81	Calculated Property
η	0.0000253	Pa×s	560.09	Calculated Property
η	0.0000173	Pa×s	582.36	Calculated Property
η	0.0000122	Pa×s	604.64	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dimethoxy-4-hydroxybenzyl alcohol.

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
• Joback Method
• McGowan Method
• NIST Webbook

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