Chemical Properties of Benzaldehyde, 4-hydroxy-3,5-dimethoxy- (CAS 134-96-3)

InChI

InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3

InChI Key

KCDXJAYRVLXPFO-UHFFFAOYSA-N

Formula

C9H10O4

SMILES

COc1cc(C=O)cc(OC)c1O

Molecular Weight¹

182.17

CAS

134-96-3

Other Names

• Gallaldehyde 3,5-dimethyl ether
• Syringaldehyde
• Syringic aldehyde
• Syringylaldehyde
• 3,5-Dimethoxy-4-hydroxybenzaldehyde
• 3,5-Dimethoxy-4-hydroxybenzene carbonal
• 4-Hydroxy-3,5-dimethoxybenzaldehyde
• Syringe aldehyde
• Benzaldehyde, 3,5-dimethoxy-4-hydroxy-
• 4-Hydroksy-3,5-dwumetoksybenzaldehyd
• Cedar aldehyde
• NSC 41153
• Siringic aldehyde
• Syringa aldehyde
• 4-Hydroxy-3,5-dimethoxybenzaldehyde (syringaldehyde)
• 4-hydroxy-3,5-methoxybenzaldehyde

• 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).
• 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
ΔfusH°	22.78	kJ/mol	Joback Calculated Property
ΔvapH°	86.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-1.38		Relay (1.0) Calculated Property
logPoct/wat	1.222		Crippen Calculated Property
McVol	133.090	ml/mol	McGowan Calculated Property
Inp	[289.60; 1670.30]
Inp	1652.00		NIST
Inp	1654.00		NIST
Inp	1617.00		NIST
Inp	1670.30		NIST
Inp	1662.00		NIST
Inp	1669.00		NIST
Inp	1667.00		NIST
Inp	1658.00		NIST
Inp	1643.00		NIST
Inp	1664.00		NIST
Inp	1670.00		NIST
Inp	Outlier 289.60		NIST
Inp	1670.30		NIST
Inp	Outlier 289.60		NIST
I	[2904.00; 2934.00]
I	2934.00		NIST
I	2930.00		NIST
I	2904.00		NIST
I	2934.00		NIST
Tboil	563.32	K	Relay (1.0) Calculated Property
Tfus	385.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[325.35; 379.60]	J/mol×K	[616.08; 837.67]
Cp,gas	325.35	J/mol×K	616.08	Joback Calculated Property
Cp,gas	335.72	J/mol×K	653.01	Joback Calculated Property
Cp,gas	345.52	J/mol×K	689.94	Joback Calculated Property
Cp,gas	354.78	J/mol×K	726.88	Joback Calculated Property
Cp,gas	363.52	J/mol×K	763.81	Joback Calculated Property
Cp,gas	371.79	J/mol×K	800.74	Joback Calculated Property
Cp,gas	379.60	J/mol×K	837.67	Joback Calculated Property
η	[0.0000294; 0.0003979]	Pa×s	[440.83; 616.08]
η	0.0003979	Pa×s	440.83	Joback Calculated Property
η	0.0002252	Pa×s	470.04	Joback Calculated Property
η	0.0001362	Pa×s	499.25	Joback Calculated Property
η	0.0000871	Pa×s	528.46	Joback Calculated Property
η	0.0000584	Pa×s	557.66	Joback Calculated Property
η	0.0000407	Pa×s	586.87	Joback Calculated Property
η	0.0000294	Pa×s	616.08	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzaldehyde, 4-hydroxy-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
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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