Chemical Properties of 2,3,4,6-tetramethoxy-acetophenone

InChI

InChI=1S/C12H16O5/c1-7(13)10-8(14-2)6-9(15-3)11(16-4)12(10)17-5/h6H,1-5H3

InChI Key

FENZKGOUICFKMZ-UHFFFAOYSA-N

Formula

C12H16O5

SMILES

COc1cc(OC)c(C(C)=O)c(OC)c1OC

Molecular Weight¹

240.25

• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[275.53; 570.75]	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			1.24630e+02
Coefficient B			5.46200e-01
Coefficient C			7.06600e-05
Coefficient D			-1.70740e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.53	J/mol×K	273.00	Calculated Property
Cp,gas	319.15	J/mol×K	353.78	Calculated Property
Cp,gas	361.32	J/mol×K	434.56	Calculated Property
Cp,gas	401.50	J/mol×K	515.33	Calculated Property
Cp,gas	439.17	J/mol×K	596.11	Calculated Property
Cp,gas	473.77	J/mol×K	676.89	Calculated Property
Cp,gas	504.77	J/mol×K	757.67	Calculated Property
Cp,gas	531.62	J/mol×K	838.44	Calculated Property
Cp,gas	553.80	J/mol×K	919.22	Calculated Property
Cp,gas	570.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004089; 0.0001168]	Pa×s	[440.35; 607.68]	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			-1.23513e+01
Coefficient B			2.00329e+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.			440.35
Temperature range, max.			607.68
η	0.0004089	Pa×s	440.35	Calculated Property
η	0.0003401	Pa×s	458.94	Calculated Property
η	0.0002869	Pa×s	477.53	Calculated Property
η	0.0002452	Pa×s	496.13	Calculated Property
η	0.0002119	Pa×s	514.72	Calculated Property
η	0.0001850	Pa×s	533.31	Calculated Property
η	0.0001630	Pa×s	551.90	Calculated Property
η	0.0001448	Pa×s	570.50	Calculated Property
η	0.0001297	Pa×s	589.09	Calculated Property
η	0.0001168	Pa×s	607.68	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,6-tetramethoxy-acetophenone.

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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