Chemical Properties of 2(1H)-Naphthalenone, 4-methyl

InChI

InChI=1S/C11H10O/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-6H,7H2,1H3

InChI Key

FLCQYXWYKZDWKF-UHFFFAOYSA-N

Formula

C11H10O

SMILES

CC1=CC(=O)Cc2ccccc21

Molecular Weight¹

158.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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_c : Critical 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 Pressure, Critical Volume, 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	[155.97; 404.91]	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			-2.95100e+01
Coefficient B			7.94420e-01
Coefficient C			-4.44200e-04
Coefficient D			8.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.97	J/mol×K	273.00	Calculated Property
Cp,gas	199.67	J/mol×K	353.78	Calculated Property
Cp,gas	238.74	J/mol×K	434.56	Calculated Property
Cp,gas	273.44	J/mol×K	515.33	Calculated Property
Cp,gas	304.04	J/mol×K	596.11	Calculated Property
Cp,gas	330.81	J/mol×K	676.89	Calculated Property
Cp,gas	354.02	J/mol×K	757.67	Calculated Property
Cp,gas	373.93	J/mol×K	838.44	Calculated Property
Cp,gas	390.80	J/mol×K	919.22	Calculated Property
Cp,gas	404.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2(1H)-Naphthalenone, 4-methyl.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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