Chemical Properties of 1H,3H-Naphtho[1,8-cd]pyran-1-one (CAS 518-86-5)

InChI

InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2

InChI Key

UKOVZLWSUZKTRL-UHFFFAOYSA-N

Formula

C12H8O2

SMILES

O=C1OCc2cccc3cccc1c23

Molecular Weight¹

184.19

CAS

518-86-5

Other Names

• Peri-Naphthalide
• Naphthalid
• Naphthalide
• 1-Naphthalenecarboxylic acid, 8-(hydroxymethyl)-, «delta»-lactone
• 1-Naphthoic acid, 8-(hydroxymethyl)-, «delta»-lactone
• 1,8-Naphthalide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	[167.31; 400.66]	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			-6.53000e+01
Coefficient B			1.08400e+00
Coefficient C			-9.36640e-04
Coefficient D			3.18600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.31	J/mol×K	273.00	Calculated Property
Cp,gas	215.07	J/mol×K	353.78	Calculated Property
Cp,gas	255.03	J/mol×K	434.56	Calculated Property
Cp,gas	288.18	J/mol×K	515.33	Calculated Property
Cp,gas	315.54	J/mol×K	596.11	Calculated Property
Cp,gas	338.11	J/mol×K	676.89	Calculated Property
Cp,gas	356.90	J/mol×K	757.67	Calculated Property
Cp,gas	372.91	J/mol×K	838.44	Calculated Property
Cp,gas	387.17	J/mol×K	919.22	Calculated Property
Cp,gas	400.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018449; 0.0009264]	Pa×s	[380.71; 577.92]	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			-8.31401e+00
Coefficient B			7.68530e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			380.71
Temperature range, max.			577.92
η	0.0018449	Pa×s	380.71	Calculated Property
η	0.0016529	Pa×s	402.62	Calculated Property
η	0.0014979	Pa×s	424.54	Calculated Property
η	0.0013705	Pa×s	446.45	Calculated Property
η	0.0012645	Pa×s	468.36	Calculated Property
η	0.0011750	Pa×s	490.27	Calculated Property
η	0.0010988	Pa×s	512.19	Calculated Property
η	0.0010332	Pa×s	534.10	Calculated Property
η	0.0009763	Pa×s	556.01	Calculated Property
η	0.0009264	Pa×s	577.92	Calculated Property

Similar Compounds

Find more compounds similar to 1H,3H-Naphtho[1,8-cd]pyran-1-one.

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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