Chemical Properties of Propanal, 3-(4-hydroxy-3,5-dimethoxyphenyl)

InChI

InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h5-7,13H,3-4H2,1-2H3

InChI Key

DPEYEJOFAHQWJI-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

COc1cc(CCC=O)cc(OC)c1O

Molecular Weight¹

210.23

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.96	kJ/mol	Joback Calculated Property
logPoct/wat	1.541		Crippen Calculated Property
McVol	161.270	ml/mol	McGowan Calculated Property
Inp	[1753.00; 1836.00]
Inp	1836.00		NIST
Inp	1753.00		NIST
Inp	1836.00		NIST
Tfus	355.82	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[421.35; 484.43]	J/mol×K	[662.04; 876.18]
Cp,gas	421.35	J/mol×K	662.04	Joback Calculated Property
Cp,gas	433.38	J/mol×K	697.73	Joback Calculated Property
Cp,gas	444.76	J/mol×K	733.42	Joback Calculated Property
Cp,gas	455.52	J/mol×K	769.11	Joback Calculated Property
Cp,gas	465.70	J/mol×K	804.80	Joback Calculated Property
Cp,gas	475.32	J/mol×K	840.49	Joback Calculated Property
Cp,gas	484.43	J/mol×K	876.18	Joback Calculated Property
η	[0.0000192; 0.0002966]	Pa×s	[463.37; 662.04]
η	0.0002966	Pa×s	463.37	Joback Calculated Property
η	0.0001614	Pa×s	496.48	Joback Calculated Property
η	0.0000948	Pa×s	529.59	Joback Calculated Property
η	0.0000593	Pa×s	562.70	Joback Calculated Property
η	0.0000390	Pa×s	595.82	Joback Calculated Property
η	0.0000269	Pa×s	628.93	Joback Calculated Property
η	0.0000192	Pa×s	662.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanal, 3-(4-hydroxy-3,5-dimethoxyphenyl).

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.
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