Chemical Properties of Homosyringaldehyde

InChI

InChI=1S/C10H12O4/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12/h4-6,12H,3H2,1-2H3

InChI Key

KPSSHRNLEXOPHK-UHFFFAOYSA-N

Formula

C10H12O4

SMILES

COc1cc(CC=O)cc(OC)c1O

Molecular Weight¹

196.20

Other Names

• 2-(4-hydroxy-3,5-dimethoxyphenyl)acetaldehyde
• 1-(4-Hydroxy-3,5-dimethoxyphenyl)-ethanal (homosyringaldehyde)

• 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).
• I_p : Polar retention indices.
• 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	[218.07; 460.83]	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			4.19710e+01
Coefficient B			7.58640e-01
Coefficient C			-4.44680e-04
Coefficient D			1.04900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.07	J/mol×K	273.00	Calculated Property
Cp,gas	259.35	J/mol×K	353.78	Calculated Property
Cp,gas	296.28	J/mol×K	434.56	Calculated Property
Cp,gas	329.19	J/mol×K	515.33	Calculated Property
Cp,gas	358.41	J/mol×K	596.11	Calculated Property
Cp,gas	384.28	J/mol×K	676.89	Calculated Property
Cp,gas	407.12	J/mol×K	757.67	Calculated Property
Cp,gas	427.27	J/mol×K	838.44	Calculated Property
Cp,gas	445.07	J/mol×K	919.22	Calculated Property
Cp,gas	460.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003443; 0.0000362]	Pa×s	[452.10; 599.84]	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			-1.71149e+01
Coefficient B			4.13253e+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.			452.10
Temperature range, max.			599.84
η	0.0003443	Pa×s	452.10	Calculated Property
η	0.0002499	Pa×s	468.52	Calculated Property
η	0.0001854	Pa×s	484.93	Calculated Property
η	0.0001403	Pa×s	501.35	Calculated Property
η	0.0001080	Pa×s	517.76	Calculated Property
η	0.0000845	Pa×s	534.18	Calculated Property
η	0.0000671	Pa×s	550.59	Calculated Property
η	0.0000540	Pa×s	567.01	Calculated Property
η	0.0000440	Pa×s	583.42	Calculated Property
η	0.0000362	Pa×s	599.84	Calculated Property

Similar Compounds

Find more compounds similar to Homosyringaldehyde.

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

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