Chemical Properties of 2-hydroxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate

InChI

InChI=1S/C16H18O4/c1-11(16(18)20-8-7-17)12-3-4-14-10-15(19-2)6-5-13(14)9-12/h3-6,9-11,17H,7-8H2,1-2H3

InChI Key

NYYKRAQUHNVACN-UHFFFAOYSA-N

Formula

C16H18O4

SMILES

COc1ccc2cc(C(C)C(=O)OCCO)ccc2c1

Molecular Weight¹

274.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[295.68; 675.21]	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			6.11200e+00
Coefficient B			1.24414e+00
Coefficient C			-7.08440e-04
Coefficient D			1.33400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	295.68	J/mol×K	273.00	Calculated Property
Cp,gas	363.50	J/mol×K	353.78	Calculated Property
Cp,gas	423.93	J/mol×K	434.56	Calculated Property
Cp,gas	477.38	J/mol×K	515.33	Calculated Property
Cp,gas	524.27	J/mol×K	596.11	Calculated Property
Cp,gas	565.04	J/mol×K	676.89	Calculated Property
Cp,gas	600.09	J/mol×K	757.67	Calculated Property
Cp,gas	629.86	J/mol×K	838.44	Calculated Property
Cp,gas	654.76	J/mol×K	919.22	Calculated Property
Cp,gas	675.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007435; 0.0000501]	Pa×s	[464.62; 700.71]	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			-1.52097e+01
Coefficient B			3.71956e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			464.62
Temperature range, max.			700.71
η	0.0007435	Pa×s	464.62	Calculated Property
η	0.0004847	Pa×s	490.85	Calculated Property
η	0.0003300	Pa×s	517.08	Calculated Property
η	0.0002332	Pa×s	543.32	Calculated Property
η	0.0001701	Pa×s	569.55	Calculated Property
η	0.0001276	Pa×s	595.78	Calculated Property
η	0.0000981	Pa×s	622.01	Calculated Property
η	0.0000770	Pa×s	648.25	Calculated Property
η	0.0000616	Pa×s	674.48	Calculated Property
η	0.0000501	Pa×s	700.71	Calculated Property

Similar Compounds

Find more compounds similar to 2-hydroxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate.

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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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