Chemical Properties of 2(1H)-naphthalenone, 3,4-dihydro-5-methoxy- (CAS 32940-15-1)

InChI

InChI=1S/C11H12O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4H,5-7H2,1H3

InChI Key

MDAIAXRTLTVEOU-UHFFFAOYSA-N

Formula

C11H12O2

SMILES

COc1cccc2c1CCC(=O)C2

Molecular Weight¹

176.21

CAS

32940-15-1

Other Names

• 5-methoxy-2-tetralone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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, Ionization energy, 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	[177.85; 454.71]	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			-1.17900e+01
Coefficient B			7.87220e-01
Coefficient C			-3.45920e-04
Coefficient D			2.52000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.85	J/mol×K	273.00	Calculated Property
Cp,gas	224.53	J/mol×K	353.78	Calculated Property
Cp,gas	267.05	J/mol×K	434.56	Calculated Property
Cp,gas	305.47	J/mol×K	515.33	Calculated Property
Cp,gas	339.90	J/mol×K	596.11	Calculated Property
Cp,gas	370.39	J/mol×K	676.89	Calculated Property
Cp,gas	397.04	J/mol×K	757.67	Calculated Property
Cp,gas	419.93	J/mol×K	838.44	Calculated Property
Cp,gas	439.12	J/mol×K	919.22	Calculated Property
Cp,gas	454.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2(1H)-naphthalenone, 3,4-dihydro-5-methoxy-.

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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