Chemical Properties of 1-Naphthoic acid, 3-methylbut-2-yl ester

InChI

InChI=1S/C16H18O2/c1-11(2)12(3)18-16(17)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,1-3H3

InChI Key

PQKGZEVLVXYLPG-UHFFFAOYSA-N

Formula

C16H18O2

SMILES

CC(C)C(C)OC(=O)c1cccc2ccccc12

Molecular Weight¹

242.31

• 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).
• 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).
• 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 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	[264.91; 641.62]	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			-4.06600e+01
Coefficient B			1.33876e+00
Coefficient C			-8.59280e-04
Coefficient D			2.02800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.91	J/mol×K	273.00	Calculated Property
Cp,gas	334.40	J/mol×K	353.78	Calculated Property
Cp,gas	395.48	J/mol×K	434.56	Calculated Property
Cp,gas	448.80	J/mol×K	515.33	Calculated Property
Cp,gas	495.00	J/mol×K	596.11	Calculated Property
Cp,gas	534.72	J/mol×K	676.89	Calculated Property
Cp,gas	568.60	J/mol×K	757.67	Calculated Property
Cp,gas	597.29	J/mol×K	838.44	Calculated Property
Cp,gas	621.41	J/mol×K	919.22	Calculated Property
Cp,gas	641.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022810; 0.0002011]	Pa×s	[354.05; 628.98]	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			-1.16387e+01
Coefficient B			1.96696e+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.			354.05
Temperature range, max.			628.98
η	0.0022810	Pa×s	354.05	Calculated Property
η	0.0014672	Pa×s	384.60	Calculated Property
η	0.0010070	Pa×s	415.15	Calculated Property
η	0.0007278	Pa×s	445.69	Calculated Property
η	0.0005484	Pa×s	476.24	Calculated Property
η	0.0004275	Pa×s	506.79	Calculated Property
η	0.0003429	Pa×s	537.34	Calculated Property
η	0.0002816	Pa×s	567.88	Calculated Property
η	0.0002359	Pa×s	598.43	Calculated Property
η	0.0002011	Pa×s	628.98	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthoic acid, 3-methylbut-2-yl 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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