Chemical Properties of 1-(3,4-Dimethoxyphenyl)-5-methoxydecan-3-one

InChI

InChI=1S/C19H30O4/c1-5-6-7-8-17(21-2)14-16(20)11-9-15-10-12-18(22-3)19(13-15)23-4/h10,12-13,17H,5-9,11,14H2,1-4H3

InChI Key

IZEIPXBCPYUZCX-UHFFFAOYSA-N

Formula

C19H30O4

SMILES

CCCCCC(CC(=O)CCc1ccc(OC)c(OC)c1)OC

Molecular Weight¹

322.44

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.87	kJ/mol	Joback Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
logPoct/wat	4.191		Crippen Calculated Property
McVol	273.990	ml/mol	McGowan Calculated Property
Inp	[2375.10; 2375.10]
Inp	2375.10		NIST
Inp	2375.10		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.21; 920.01]	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			6.24870e+01
Coefficient B			1.39928e+00
Coefficient C			-5.58420e-04
Coefficient D			1.66600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.21	J/mol×K	273.00	Calculated Property
Cp,gas	488.37	J/mol×K	353.78	Calculated Property
Cp,gas	566.47	J/mol×K	434.56	Calculated Property
Cp,gas	637.56	J/mol×K	515.33	Calculated Property
Cp,gas	701.71	J/mol×K	596.11	Calculated Property
Cp,gas	758.95	J/mol×K	676.89	Calculated Property
Cp,gas	809.36	J/mol×K	757.67	Calculated Property
Cp,gas	852.96	J/mol×K	838.44	Calculated Property
Cp,gas	889.83	J/mol×K	919.22	Calculated Property
Cp,gas	920.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005422; 0.0000744]	Pa×s	[456.97; 690.93]	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			-1.33861e+01
Coefficient B			2.68066e+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.			456.97
Temperature range, max.			690.93
η	0.0005422	Pa×s	456.97	Calculated Property
η	0.0003954	Pa×s	482.97	Calculated Property
η	0.0002978	Pa×s	508.96	Calculated Property
η	0.0002305	Pa×s	534.96	Calculated Property
η	0.0001828	Pa×s	560.95	Calculated Property
η	0.0001479	Pa×s	586.95	Calculated Property
η	0.0001219	Pa×s	612.94	Calculated Property
η	0.0001020	Pa×s	638.94	Calculated Property
η	0.0000866	Pa×s	664.93	Calculated Property
η	0.0000744	Pa×s	690.93	Calculated Property

Similar Compounds

Find more compounds similar to 1-(3,4-Dimethoxyphenyl)-5-methoxydecan-3-one.

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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