Chemical Properties of Valeric acid, 2-naphthyl ester

InChI

InChI=1S/C15H16O2/c1-2-3-8-15(16)17-14-10-9-12-6-4-5-7-13(12)11-14/h4-7,9-11H,2-3,8H2,1H3

InChI Key

ZMPGOHSLJBONFZ-UHFFFAOYSA-N

Formula

C15H16O2

SMILES

CCCCC(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

228.29

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[244.32; 588.95]	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			-3.63870e+01
Coefficient B			1.23192e+00
Coefficient C			-7.98480e-04
Coefficient D			1.91900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.32	J/mol×K	273.00	Calculated Property
Cp,gas	308.00	J/mol×K	353.78	Calculated Property
Cp,gas	363.91	J/mol×K	434.56	Calculated Property
Cp,gas	412.67	J/mol×K	515.33	Calculated Property
Cp,gas	454.89	J/mol×K	596.11	Calculated Property
Cp,gas	491.15	J/mol×K	676.89	Calculated Property
Cp,gas	522.09	J/mol×K	757.67	Calculated Property
Cp,gas	548.30	J/mol×K	838.44	Calculated Property
Cp,gas	570.38	J/mol×K	919.22	Calculated Property
Cp,gas	588.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016443; 0.0002519]	Pa×s	[372.78; 610.27]	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			-1.12314e+01
Coefficient B			1.79716e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			372.78
Temperature range, max.			610.27
η	0.0016443	Pa×s	372.78	Calculated Property
η	0.0011956	Pa×s	399.17	Calculated Property
η	0.0009044	Pa×s	425.55	Calculated Property
η	0.0007067	Pa×s	451.94	Calculated Property
η	0.0005675	Pa×s	478.33	Calculated Property
η	0.0004663	Pa×s	504.72	Calculated Property
η	0.0003907	Pa×s	531.10	Calculated Property
η	0.0003329	Pa×s	557.49	Calculated Property
η	0.0002878	Pa×s	583.88	Calculated Property
η	0.0002519	Pa×s	610.27	Calculated Property

Similar Compounds

Find more compounds similar to Valeric acid, 2-naphthyl ester.

Sources

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

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