Chemical Properties of Acetoxyacetic acid, 2-(1-adamantyl)ethyl ester

InChI

InChI=1S/C16H24O4/c1-11(17)20-10-15(18)19-3-2-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-14H,2-10H2,1H3

InChI Key

ANKZCVBEWNJHPO-UHFFFAOYSA-N

Formula

C16H24O4

SMILES

CC(=O)OCC(=O)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

280.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[300.69; 815.98]	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			-1.60737e+02
Coefficient B			2.12272e+00
Coefficient C			-1.74880e-03
Coefficient D			6.02800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	300.69	J/mol×K	273.00	Calculated Property
Cp,gas	398.05	J/mol×K	353.78	Calculated Property
Cp,gas	480.93	J/mol×K	434.56	Calculated Property
Cp,gas	551.24	J/mol×K	515.33	Calculated Property
Cp,gas	610.90	J/mol×K	596.11	Calculated Property
Cp,gas	661.80	J/mol×K	676.89	Calculated Property
Cp,gas	705.85	J/mol×K	757.67	Calculated Property
Cp,gas	744.96	J/mol×K	838.44	Calculated Property
Cp,gas	781.04	J/mol×K	919.22	Calculated Property
Cp,gas	815.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, 2-(1-adamantyl)ethyl 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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