Chemical Properties of 1-Naphthoic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C19H16O2/c1-13-10-14(2)12-16(11-13)21-19(20)18-9-5-7-15-6-3-4-8-17(15)18/h3-12H,1-2H3

InChI Key

YSHJDUIJHHEDGD-UHFFFAOYSA-N

Formula

C19H16O2

SMILES

Cc1cc(C)cc(OC(=O)c2cccc3ccccc23)c1

Molecular Weight¹

276.33

• 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	[277.02; 670.71]	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			-4.53300e+01
Coefficient B			1.41404e+00
Coefficient C			-9.13200e-04
Coefficient D			2.15200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	277.02	J/mol×K	273.00	Calculated Property
Cp,gas	350.16	J/mol×K	353.78	Calculated Property
Cp,gas	414.36	J/mol×K	434.56	Calculated Property
Cp,gas	470.31	J/mol×K	515.33	Calculated Property
Cp,gas	518.68	J/mol×K	596.11	Calculated Property
Cp,gas	560.15	J/mol×K	676.89	Calculated Property
Cp,gas	595.41	J/mol×K	757.67	Calculated Property
Cp,gas	625.14	J/mol×K	838.44	Calculated Property
Cp,gas	650.01	J/mol×K	919.22	Calculated Property
Cp,gas	670.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008693; 0.0001837]	Pa×s	[469.32; 718.28]	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			-1.15324e+01
Coefficient B			2.10470e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			469.32
Temperature range, max.			718.28
η	0.0008693	Pa×s	469.32	Calculated Property
η	0.0006773	Pa×s	496.98	Calculated Property
η	0.0005417	Pa×s	524.64	Calculated Property
η	0.0004431	Pa×s	552.31	Calculated Property
η	0.0003695	Pa×s	579.97	Calculated Property
η	0.0003132	Pa×s	607.63	Calculated Property
η	0.0002694	Pa×s	635.29	Calculated Property
η	0.0002346	Pa×s	662.96	Calculated Property
η	0.0002066	Pa×s	690.62	Calculated Property
η	0.0001837	Pa×s	718.28	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthoic acid, 3,5-dimethylphenyl 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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