Chemical Properties of Glutaric acid, but-3-yn-2-yl 2-ethylphenyl ester

InChI

InChI=1S/C17H20O4/c1-4-13(3)20-16(18)11-8-12-17(19)21-15-10-7-6-9-14(15)5-2/h1,6-7,9-10,13H,5,8,11-12H2,2-3H3

InChI Key

AGOFPOPNVOHVJK-UHFFFAOYSA-N

Formula

C17H20O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1ccccc1CC

Molecular Weight¹

288.34

• 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°	-52.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-372.13	kJ/mol	Joback Calculated Property
ΔfusH°	38.46	kJ/mol	Joback Calculated Property
ΔvapH°	74.16	kJ/mol	Joback Calculated Property
log10WS	-4.29		Crippen Calculated Property
logPoct/wat	2.890		Crippen Calculated Property
McVol	232.910	ml/mol	McGowan Calculated Property
Pc	1913.58	kPa	Joback Calculated Property
Inp	[1999.00; 1999.00]
Inp	1999.00		NIST
Inp	1999.00		NIST
Tboil	762.28	K	Joback Calculated Property
Tc	974.80	K	Joback Calculated Property
Tfus	496.58	K	Joback Calculated Property
Vc	0.883	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[652.83; 726.28]	J/mol×K	[762.28; 974.80]
Cp,gas	652.83	J/mol×K	762.28	Joback Calculated Property
Cp,gas	667.56	J/mol×K	797.70	Joback Calculated Property
Cp,gas	681.27	J/mol×K	833.12	Joback Calculated Property
Cp,gas	693.97	J/mol×K	868.54	Joback Calculated Property
Cp,gas	705.69	J/mol×K	903.96	Joback Calculated Property
Cp,gas	716.45	J/mol×K	939.38	Joback Calculated Property
Cp,gas	726.28	J/mol×K	974.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 2-ethylphenyl ester.

Sources

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

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