Chemical Properties of Glutaric acid, 2-(adamant-1-yl)ethyl ethyl ester

InChI

InChI=1S/C19H30O4/c1-2-22-17(20)4-3-5-18(21)23-7-6-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,2-13H2,1H3

InChI Key

NPXUJMOSPADRMB-UHFFFAOYSA-N

Formula

C19H30O4

SMILES

CCOC(=O)CCCC(=O)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

322.44

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• 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
ω	0.7643		Relay (1.0) Calculated Property
ΔfG°	-201.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-972.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.62	kJ/mol	Joback Calculated Property
ΔvapH°	101.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-4.68		Relay (1.0) Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	260.870	ml/mol	McGowan Calculated Property
Pc	1570.96	kPa	Joback Calculated Property
Inp	[2405.00; 2405.00]
Inp	2405.00		NIST
Inp	2405.00		NIST
Tboil	651.32	K	Relay (1.0) Calculated Property
Tc	873.54	K	Relay (1.0) Calculated Property
Tfus	411.05	K	Relay (1.0) Calculated Property
Vc	0.972	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[864.59; 976.77]	J/mol×K	[806.76; 1013.65]
Cp,gas	864.59	J/mol×K	806.76	Joback Calculated Property
Cp,gas	884.35	J/mol×K	841.24	Joback Calculated Property
Cp,gas	903.47	J/mol×K	875.72	Joback Calculated Property
Cp,gas	922.12	J/mol×K	910.20	Joback Calculated Property
Cp,gas	940.46	J/mol×K	944.69	Joback Calculated Property
Cp,gas	958.62	J/mol×K	979.17	Joback Calculated Property
Cp,gas	976.77	J/mol×K	1013.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(adamant-1-yl)ethyl ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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