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

InChI

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

InChI Key

OVRFMMLOGHJZLA-UHFFFAOYSA-N

Formula

C11H10O

SMILES

CC1C=Cc2ccccc2C1=O

Molecular Weight¹

158.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	14.66	kJ/mol	Joback Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
logPoct/wat	2.532		Crippen Calculated Property
McVol	128.500	ml/mol	McGowan Calculated Property
Inp	[1492.00; 1492.00]
Inp	1492.00		NIST
Inp	1492.00		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	[155.69; 414.61]	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			-3.78700e+01
Coefficient B			8.27420e-01
Coefficient C			-4.55840e-04
Coefficient D			8.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.69	J/mol×K	273.00	Calculated Property
Cp,gas	201.38	J/mol×K	353.78	Calculated Property
Cp,gas	242.25	J/mol×K	434.56	Calculated Property
Cp,gas	278.54	J/mol×K	515.33	Calculated Property
Cp,gas	310.52	J/mol×K	596.11	Calculated Property
Cp,gas	338.44	J/mol×K	676.89	Calculated Property
Cp,gas	362.55	J/mol×K	757.67	Calculated Property
Cp,gas	383.11	J/mol×K	838.44	Calculated Property
Cp,gas	400.38	J/mol×K	919.22	Calculated Property
Cp,gas	414.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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