Chemical Properties of 2-Ethylbutyric acid, 2-naphthyl ester

InChI

InChI=1S/C16H18O2/c1-3-12(4-2)16(17)18-15-10-9-13-7-5-6-8-14(13)11-15/h5-12H,3-4H2,1-2H3

InChI Key

JDKZXLBYHYCZKA-UHFFFAOYSA-N

Formula

C16H18O2

SMILES

CCC(CC)C(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

242.31

• 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).
• 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_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 formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[265.22; 641.08]	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			-3.89780e+01
Coefficient B			1.33284e+00
Coefficient C			-8.56080e-04
Coefficient D			2.03300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	265.22	J/mol×K	273.00	Calculated Property
Cp,gas	334.41	J/mol×K	353.78	Calculated Property
Cp,gas	395.24	J/mol×K	434.56	Calculated Property
Cp,gas	448.35	J/mol×K	515.33	Calculated Property
Cp,gas	494.40	J/mol×K	596.11	Calculated Property
Cp,gas	534.02	J/mol×K	676.89	Calculated Property
Cp,gas	567.85	J/mol×K	757.67	Calculated Property
Cp,gas	596.55	J/mol×K	838.44	Calculated Property
Cp,gas	620.74	J/mol×K	919.22	Calculated Property
Cp,gas	641.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018782; 0.0002194]	Pa×s	[369.05; 626.28]	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			-1.15047e+01
Coefficient B			1.92914e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			369.05
Temperature range, max.			626.28
η	0.0018782	Pa×s	369.05	Calculated Property
η	0.0012899	Pa×s	397.63	Calculated Property
η	0.0009317	Pa×s	426.21	Calculated Property
η	0.0007010	Pa×s	454.79	Calculated Property
η	0.0005455	Pa×s	483.37	Calculated Property
η	0.0004366	Pa×s	511.95	Calculated Property
η	0.0003577	Pa×s	540.53	Calculated Property
η	0.0002990	Pa×s	569.11	Calculated Property
η	0.0002543	Pa×s	597.70	Calculated Property
η	0.0002194	Pa×s	626.28	Calculated Property

Similar Compounds

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

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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