Chemical Properties of Glutaric acid, but-3-yn-2-yl 4-acetylphenyl ester

InChI

InChI=1S/C17H18O5/c1-4-12(2)21-16(19)6-5-7-17(20)22-15-10-8-14(9-11-15)13(3)18/h1,8-12H,5-7H2,2-3H3

InChI Key

ONYJGXNTHYXRIG-UHFFFAOYSA-N

Formula

C17H18O5

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

302.32

• 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°	-181.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-484.71	kJ/mol	Joback Calculated Property
ΔfusH°	40.06	kJ/mol	Joback Calculated Property
ΔvapH°	80.90	kJ/mol	Joback Calculated Property
log10WS	-4.14		Crippen Calculated Property
logPoct/wat	2.530		Crippen Calculated Property
McVol	234.480	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[2316.00; 2316.00]
Inp	2316.00		NIST
Inp	2316.00		NIST
Tboil	816.15	K	Joback Calculated Property
Tc	1034.74	K	Joback Calculated Property
Tfus	546.51	K	Joback Calculated Property
Vc	0.889	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.88; 729.21]	J/mol×K	[816.15; 1034.74]
Cp,gas	666.88	J/mol×K	816.15	Joback Calculated Property
Cp,gas	679.85	J/mol×K	852.58	Joback Calculated Property
Cp,gas	691.76	J/mol×K	889.01	Joback Calculated Property
Cp,gas	702.63	J/mol×K	925.44	Joback Calculated Property
Cp,gas	712.48	J/mol×K	961.88	Joback Calculated Property
Cp,gas	721.34	J/mol×K	998.31	Joback Calculated Property
Cp,gas	729.21	J/mol×K	1034.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 4-acetylphenyl ester.

Sources

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

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