Chemical Properties of 1,2-Naphthoquinone

InChI

InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H

InChI Key

KETQAJRQOHHATG-UHFFFAOYSA-N

Formula

C10H6O2

SMILES

O=C1C=Cc2ccccc2C1=O

Molecular Weight¹

158.16

Other Names

• «beta»-Naphthoquinone
• o-Naphthoquinone
• Naphthoquinone-(1,2)
• 1,2-Naphthaquinone
• 1,2-Naftochinon

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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 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	[138.58; 355.49]	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			-6.47000e+00
Coefficient B			5.90600e-01
Coefficient C			-2.12840e-04
Coefficient D			-1.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.58	J/mol×K	273.00	Calculated Property
Cp,gas	175.13	J/mol×K	353.78	Calculated Property
Cp,gas	208.69	J/mol×K	434.56	Calculated Property
Cp,gas	239.20	J/mol×K	515.33	Calculated Property
Cp,gas	266.61	J/mol×K	596.11	Calculated Property
Cp,gas	290.88	J/mol×K	676.89	Calculated Property
Cp,gas	311.95	J/mol×K	757.67	Calculated Property
Cp,gas	329.78	J/mol×K	838.44	Calculated Property
Cp,gas	344.31	J/mol×K	919.22	Calculated Property
Cp,gas	355.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Naphthoquinone.

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.
These property values are available through the Cheméo API. A free account gives you an access key.