Chemical Properties of 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-

InChI

InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3

InChI Key

CZNLTCTYLMYLHL-UHFFFAOYSA-N

Formula

C17H26O3

SMILES

CCCCCCCC(=O)CCc1ccc(O)c(OC)c1

Molecular Weight¹

278.39

Other Names

• 1-(4-Hydroxy-3-methoxyphenyl)decan-3-one
• 1-(4-hydroxy-3-methoxyphenyl)decan-5-one
• Heptyl 4-hydroxy-3-methoxyphenethyl ketone
• Paradol
• [6]-Gingerone
• [6]-Paradol

• 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_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_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (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	-571.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.01	kJ/mol	Joback Calculated Property
ΔvapH°	101.44	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.06		Relay (1.0) Calculated Property
logPoct/wat	4.263		Crippen Calculated Property
McVol	239.940	ml/mol	McGowan Calculated Property
Inp	[2218.00; 2232.00]
Inp	2232.00		NIST
Inp	2218.00		NIST
Inp	2232.00		NIST
Inp	2218.00		NIST
I	[3506.00; 3506.00]
I	3506.00		NIST
I	3506.00		NIST
Tboil	614.97	K	Relay (1.0) Calculated Property
Tc	842.20	K	Relay (1.0) Calculated Property
Tfus	349.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.92; 798.05]	J/mol×K	[776.93; 980.70]
Cp,gas	714.92	J/mol×K	776.93	Joback Calculated Property
Cp,gas	730.63	J/mol×K	810.89	Joback Calculated Property
Cp,gas	745.52	J/mol×K	844.85	Joback Calculated Property
Cp,gas	759.64	J/mol×K	878.81	Joback Calculated Property
Cp,gas	773.06	J/mol×K	912.78	Joback Calculated Property
Cp,gas	785.84	J/mol×K	946.74	Joback Calculated Property
Cp,gas	798.05	J/mol×K	980.70	Joback Calculated Property
η	[0.0000069; 0.0001929]	Pa×s	[504.17; 776.93]
η	0.0001929	Pa×s	504.17	Joback Calculated Property
η	0.0000882	Pa×s	549.63	Joback Calculated Property
η	0.0000454	Pa×s	595.09	Joback Calculated Property
η	0.0000257	Pa×s	640.55	Joback Calculated Property
η	0.0000157	Pa×s	686.01	Joback Calculated Property
η	0.0000102	Pa×s	731.47	Joback Calculated Property
η	0.0000069	Pa×s	776.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-.

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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