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

InChI

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

InChI Key

FXWZTKHGOYIFMN-UHFFFAOYSA-N

Formula

C17H20O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1cccc(CC)c1

Molecular Weight¹

288.34

• 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	0.7315		Relay (1.0) Calculated Property
ΔfG°	-52.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-526.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.46	kJ/mol	Joback Calculated Property
ΔvapH°	89.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-3.86		Relay (1.0) 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	[2042.00; 2042.00]
Inp	2042.00		NIST
Inp	2042.00		NIST
Tboil	607.61	K	Relay (1.0) Calculated Property
Tc	810.19	K	Relay (1.0) Calculated Property
Tfus	297.54	K	Relay (1.0) Calculated Property
Vc	0.829	m3/kmol	Relay (1.0) 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 3-ethylphenyl ester.

Sources

• Cheméo Relay (1.0)
• 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.