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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-246.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-650.33	kJ/mol	Joback Calculated Property
ΔfusH°	32.04	kJ/mol	Joback Calculated Property
ΔvapH°	64.36	kJ/mol	Joback Calculated Property
log10WS	-2.24		Crippen Calculated Property
logPoct/wat	1.917		Crippen Calculated Property
McVol	190.420	ml/mol	McGowan Calculated Property
Pc	2222.89	kPa	Joback Calculated Property
Inp	[1788.00; 1788.00]
Inp	1788.00		NIST
Inp	1788.00		NIST
Tboil	687.45	K	Joback Calculated Property
Tc	899.32	K	Joback Calculated Property
Tfus	433.68	K	Joback Calculated Property
Vc	0.729	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[585.39; 678.24]	J/mol×K	[687.45; 899.32]
Cp,gas	585.39	J/mol×K	687.45	Joback Calculated Property
Cp,gas	603.54	J/mol×K	722.76	Joback Calculated Property
Cp,gas	620.54	J/mol×K	758.07	Joback Calculated Property
Cp,gas	636.44	J/mol×K	793.38	Joback Calculated Property
Cp,gas	651.32	J/mol×K	828.70	Joback Calculated Property
Cp,gas	665.23	J/mol×K	864.01	Joback Calculated Property
Cp,gas	678.24	J/mol×K	899.32	Joback Calculated Property
η	[0.0024368; 0.0038446]	Pa×s	[433.68; 687.45]
η	0.0038446	Pa×s	433.68	Joback Calculated Property
η	0.0034450	Pa×s	475.97	Joback Calculated Property
η	0.0031426	Pa×s	518.27	Joback Calculated Property
η	0.0029069	Pa×s	560.57	Joback Calculated Property
η	0.0027184	Pa×s	602.86	Joback Calculated Property
η	0.0025645	Pa×s	645.15	Joback Calculated Property
η	0.0024368	Pa×s	687.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, 2-adamantyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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