Chemical Properties of 4-ethylbenzoic acid, 2-adamantyl ester

InChI

InChI=1S/C19H24O2/c1-2-12-3-5-15(6-4-12)19(20)21-18-16-8-13-7-14(10-16)11-17(18)9-13/h3-6,13-14,16-18H,2,7-11H2,1H3

InChI Key

ZIIYEEGFRAAVLV-UHFFFAOYSA-N

Formula

C19H24O2

SMILES

CCc1ccc(C(=O)OC2C3CC4CC(C3)CC2C4)cc1

Molecular Weight¹

284.40

• 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).
• 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, Ionization energy, 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	[299.49; 840.41]	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			-1.52549e+02
Coefficient B			2.00572e+00
Coefficient C			-1.38276e-03
Coefficient D			3.70000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.49	J/mol×K	273.00	Calculated Property
Cp,gas	400.35	J/mol×K	353.78	Calculated Property
Cp,gas	488.29	J/mol×K	434.56	Calculated Property
Cp,gas	564.48	J/mol×K	515.33	Calculated Property
Cp,gas	630.10	J/mol×K	596.11	Calculated Property
Cp,gas	686.30	J/mol×K	676.89	Calculated Property
Cp,gas	734.26	J/mol×K	757.67	Calculated Property
Cp,gas	775.16	J/mol×K	838.44	Calculated Property
Cp,gas	810.15	J/mol×K	919.22	Calculated Property
Cp,gas	840.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035125; 0.0020159]	Pa×s	[426.98; 677.09]	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			-7.15462e+00
Coefficient B			6.41830e+02
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.			426.98
Temperature range, max.			677.09
η	0.0035125	Pa×s	426.98	Calculated Property
η	0.0032042	Pa×s	454.77	Calculated Property
η	0.0029541	Pa×s	482.56	Calculated Property
η	0.0027477	Pa×s	510.35	Calculated Property
η	0.0025749	Pa×s	538.14	Calculated Property
η	0.0024284	Pa×s	565.93	Calculated Property
η	0.0023029	Pa×s	593.72	Calculated Property
η	0.0021942	Pa×s	621.51	Calculated Property
η	0.0020993	Pa×s	649.30	Calculated Property
η	0.0020159	Pa×s	677.09	Calculated Property

Similar Compounds

Find more compounds similar to 4-ethylbenzoic acid, 2-adamantyl 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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