Chemical Properties of Acetoxyacetic acid, 2-adamantyl ester

InChI

InChI=1S/C14H20O4/c1-8(15)17-7-13(16)18-14-11-3-9-2-10(5-11)6-12(14)4-9/h9-12,14H,2-7H2,1H3

InChI Key

USARLLDMEVXLIO-UHFFFAOYSA-N

Formula

C14H20O4

SMILES

CC(=O)OCC(=O)OC1C2CC3CC(C2)CC1C3

Molecular Weight¹

252.31

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	35.20	kJ/mol	Joback Calculated Property
logPoct/wat	1.917		Crippen Calculated Property
McVol	190.420	ml/mol	McGowan Calculated Property
Inp	[1788.00; 1788.00]
Inp	1788.00		NIST
Inp	1788.00		NIST

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	[264.46; 712.13]	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			-1.02989e+02
Coefficient B			1.61432e+00
Coefficient C			-1.05200e-03
Coefficient D			2.52800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.46	J/mol×K	273.00	Calculated Property
Cp,gas	347.65	J/mol×K	353.78	Calculated Property
Cp,gas	420.61	J/mol×K	434.56	Calculated Property
Cp,gas	484.14	J/mol×K	515.33	Calculated Property
Cp,gas	539.05	J/mol×K	596.11	Calculated Property
Cp,gas	586.12	J/mol×K	676.89	Calculated Property
Cp,gas	626.17	J/mol×K	757.67	Calculated Property
Cp,gas	659.99	J/mol×K	838.44	Calculated Property
Cp,gas	688.38	J/mol×K	919.22	Calculated Property
Cp,gas	712.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033147; 0.0018463]	Pa×s	[374.02; 601.58]	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			-7.25634e+00
Coefficient B			5.78590e+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.			374.02
Temperature range, max.			601.58
η	0.0033147	Pa×s	374.02	Calculated Property
η	0.0030054	Pa×s	399.30	Calculated Property
η	0.0027569	Pa×s	424.59	Calculated Property
η	0.0025537	Pa×s	449.87	Calculated Property
η	0.0023847	Pa×s	475.16	Calculated Property
η	0.0022425	Pa×s	500.44	Calculated Property
η	0.0021212	Pa×s	525.73	Calculated Property
η	0.0020167	Pa×s	551.01	Calculated Property
η	0.0019259	Pa×s	576.30	Calculated Property
η	0.0018463	Pa×s	601.58	Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.