Chemical Properties of 1,2-Dimethoxy-3-acetoacetylnaphthalene

InChI

InChI=1S/C14H14O4/c1-9(15)18-12-8-10-6-4-5-7-11(10)13(16-2)14(12)17-3/h4-8H,1-3H3

InChI Key

XTBBSNLXDNRMQB-UHFFFAOYSA-N

Formula

C14H14O4

SMILES

COc1c(OC(C)=O)cc2ccccc2c1OC

Molecular Weight¹

246.26

• 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).
• 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).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[259.02; 568.28]	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			4.41200e+01
Coefficient B			8.91560e-01
Coefficient C			-3.88000e-04
Coefficient D			2.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.02	J/mol×K	273.00	Calculated Property
Cp,gas	311.88	J/mol×K	353.78	Calculated Property
Cp,gas	359.97	J/mol×K	434.56	Calculated Property
Cp,gas	403.35	J/mol×K	515.33	Calculated Property
Cp,gas	442.08	J/mol×K	596.11	Calculated Property
Cp,gas	476.22	J/mol×K	676.89	Calculated Property
Cp,gas	505.85	J/mol×K	757.67	Calculated Property
Cp,gas	531.03	J/mol×K	838.44	Calculated Property
Cp,gas	551.81	J/mol×K	919.22	Calculated Property
Cp,gas	568.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007026; 0.0001795]	Pa×s	[431.01; 632.70]	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			-1.15406e+01
Coefficient B			1.84466e+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.			431.01
Temperature range, max.			632.70
η	0.0007026	Pa×s	431.01	Calculated Property
η	0.0005686	Pa×s	453.42	Calculated Property
η	0.0004695	Pa×s	475.83	Calculated Property
η	0.0003944	Pa×s	498.24	Calculated Property
η	0.0003363	Pa×s	520.65	Calculated Property
η	0.0002905	Pa×s	543.06	Calculated Property
η	0.0002539	Pa×s	565.47	Calculated Property
η	0.0002242	Pa×s	587.88	Calculated Property
η	0.0001998	Pa×s	610.29	Calculated Property
η	0.0001795	Pa×s	632.70	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dimethoxy-3-acetoacetylnaphthalene.

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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