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

InChI

InChI=1S/C15H15FO4/c1-3-11(2)19-14(17)8-5-9-15(18)20-13-7-4-6-12(16)10-13/h1,4,6-7,10-11H,5,8-9H2,2H3

InChI Key

LJUCPGNZNKNEIU-UHFFFAOYSA-N

Formula

C15H15FO4

SMILES

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

Molecular Weight¹

278.28

• 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°	-263.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-526.96	kJ/mol	Joback Calculated Property
ΔfusH°	36.36	kJ/mol	Joback Calculated Property
ΔvapH°	68.89	kJ/mol	Joback Calculated Property
log10WS	-3.82		Crippen Calculated Property
logPoct/wat	2.466		Crippen Calculated Property
McVol	206.500	ml/mol	McGowan Calculated Property
Pc	2185.64	kPa	Joback Calculated Property
Inp	[1856.00; 1856.00]
Inp	1856.00		NIST
Inp	1856.00		NIST
Tboil	715.79	K	Joback Calculated Property
Tc	925.59	K	Joback Calculated Property
Tfus	474.63	K	Joback Calculated Property
Vc	0.789	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.91; 620.06]	J/mol×K	[715.79; 925.59]
Cp,gas	552.91	J/mol×K	715.79	Joback Calculated Property
Cp,gas	566.30	J/mol×K	750.76	Joback Calculated Property
Cp,gas	578.79	J/mol×K	785.72	Joback Calculated Property
Cp,gas	590.40	J/mol×K	820.69	Joback Calculated Property
Cp,gas	601.13	J/mol×K	855.66	Joback Calculated Property
Cp,gas	611.01	J/mol×K	890.62	Joback Calculated Property
Cp,gas	620.06	J/mol×K	925.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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