Chemical Properties of 2-Acetylamino-6-methoxy-naphthalene (CAS 3900-46-7)

InChI

InChI=1S/C13H13NO2/c1-9(15)14-12-5-3-11-8-13(16-2)6-4-10(11)7-12/h3-8H,1-2H3,(H,14,15)

InChI Key

ZAHHHOXQHKERLZ-UHFFFAOYSA-N

Formula

C13H13NO2

SMILES

COc1ccc2cc(NC(C)=O)ccc2c1

Molecular Weight¹

215.25

CAS

3900-46-7

• 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).
• 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	[220.62; 519.03]	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			-1.40300e+01
Coefficient B			1.02224e+00
Coefficient C			-6.36140e-04
Coefficient D			1.46960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.62	J/mol×K	273.00	Calculated Property
Cp,gas	274.50	J/mol×K	353.78	Calculated Property
Cp,gas	322.12	J/mol×K	434.56	Calculated Property
Cp,gas	363.94	J/mol×K	515.33	Calculated Property
Cp,gas	400.42	J/mol×K	596.11	Calculated Property
Cp,gas	432.02	J/mol×K	676.89	Calculated Property
Cp,gas	459.22	J/mol×K	757.67	Calculated Property
Cp,gas	482.48	J/mol×K	838.44	Calculated Property
Cp,gas	502.26	J/mol×K	919.22	Calculated Property
Cp,gas	519.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Acetylamino-6-methoxy-naphthalene.

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