Chemical Properties of Glutaric acid, 2-(adamant-1-yl)ethyl but-3-yn-2-yl ester

InChI

InChI=1S/C21H30O4/c1-3-15(2)25-20(23)6-4-5-19(22)24-8-7-21-12-16-9-17(13-21)11-18(10-16)14-21/h1,15-18H,4-14H2,2H3

InChI Key

LTGWCGMAGJVFEP-UHFFFAOYSA-N

Formula

C21H30O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

346.46

• 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).
• 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°	35.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-472.61	kJ/mol	Joback Calculated Property
ΔfusH°	42.25	kJ/mol	Joback Calculated Property
ΔvapH°	78.57	kJ/mol	Joback Calculated Property
log10WS	-4.96		Crippen Calculated Property
logPoct/wat	3.871		Crippen Calculated Property
McVol	280.450	ml/mol	McGowan Calculated Property
Pc	1527.07	kPa	Joback Calculated Property
Inp	[2522.00; 2522.00]
Inp	2522.00		NIST
Inp	2522.00		NIST
Tboil	842.20	K	Joback Calculated Property
Tc	1057.34	K	Joback Calculated Property
Tfus	572.68	K	Joback Calculated Property
Vc	1.075	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[929.42; 1046.73]	J/mol×K	[842.20; 1057.34]
Cp,gas	929.42	J/mol×K	842.20	Joback Calculated Property
Cp,gas	949.60	J/mol×K	878.06	Joback Calculated Property
Cp,gas	969.28	J/mol×K	913.91	Joback Calculated Property
Cp,gas	988.65	J/mol×K	949.77	Joback Calculated Property
Cp,gas	1007.90	J/mol×K	985.63	Joback Calculated Property
Cp,gas	1027.19	J/mol×K	1021.48	Joback Calculated Property
Cp,gas	1046.73	J/mol×K	1057.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(adamant-1-yl)ethyl but-3-yn-2-yl ester.

Sources

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

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