Chemical Properties of 1-Naphthalenecarboxylic acid, ethyl ester (CAS 3007-97-4)

InChI

InChI=1S/C13H12O2/c1-2-15-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3

InChI Key

XCTLDQQOHIEUCJ-UHFFFAOYSA-N

Formula

C13H12O2

SMILES

CCOC(=O)c1cccc2ccccc12

Molecular Weight¹

200.23

CAS

3007-97-4

Other Names

• 1-Naphthoic acid, ethyl ester
• Ethyl 1-naphthoate
• Ethyl «alpha»-naphthoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.89; 485.77]	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			-3.45690e+01
Coefficient B			1.04192e+00
Coefficient C			-6.89680e-04
Coefficient D			1.68100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.89	J/mol×K	273.00	Calculated Property
Cp,gas	255.16	J/mol×K	353.78	Calculated Property
Cp,gas	301.76	J/mol×K	434.56	Calculated Property
Cp,gas	342.22	J/mol×K	515.33	Calculated Property
Cp,gas	377.06	J/mol×K	596.11	Calculated Property
Cp,gas	406.83	J/mol×K	676.89	Calculated Property
Cp,gas	432.06	J/mol×K	757.67	Calculated Property
Cp,gas	453.27	J/mol×K	838.44	Calculated Property
Cp,gas	470.99	J/mol×K	919.22	Calculated Property
Cp,gas	485.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017105; 0.0002719]	Pa×s	[350.24; 584.08]	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			-1.09645e+01
Coefficient B			1.60884e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			350.24
Temperature range, max.			584.08
η	0.0017105	Pa×s	350.24	Calculated Property
η	0.0012455	Pa×s	376.22	Calculated Property
η	0.0009449	Pa×s	402.21	Calculated Property
η	0.0007412	Pa×s	428.19	Calculated Property
η	0.0005979	Pa×s	454.17	Calculated Property
η	0.0004936	Pa×s	480.15	Calculated Property
η	0.0004156	Pa×s	506.14	Calculated Property
η	0.0003558	Pa×s	532.12	Calculated Property
η	0.0003091	Pa×s	558.10	Calculated Property
η	0.0002719	Pa×s	584.08	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthalenecarboxylic acid, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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