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

InChI

InChI=1S/C15H11F5O4/c1-3-7(2)23-8(21)5-4-6-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h1,7H,4-6H2,2H3

InChI Key

ZXPFAMLOLISZBC-UHFFFAOYSA-N

Formula

C15H11F5O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

350.24

• 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°	-1081.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1357.28	kJ/mol	Joback Calculated Property
ΔfusH°	47.13	kJ/mol	Joback Calculated Property
ΔvapH°	68.27	kJ/mol	Joback Calculated Property
log10WS	-5.14		Crippen Calculated Property
logPoct/wat	3.023		Crippen Calculated Property
McVol	213.580	ml/mol	McGowan Calculated Property
Pc	1766.90	kPa	Joback Calculated Property
Inp	[1676.00; 1676.00]
Inp	1676.00		NIST
Inp	1676.00		NIST
Tboil	732.79	K	Joback Calculated Property
Tc	919.10	K	Joback Calculated Property
Tfus	527.07	K	Joback Calculated Property
Vc	0.862	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.67; 635.81]	J/mol×K	[732.79; 919.10]
Cp,gas	579.67	J/mol×K	732.79	Joback Calculated Property
Cp,gas	590.68	J/mol×K	763.84	Joback Calculated Property
Cp,gas	601.03	J/mol×K	794.89	Joback Calculated Property
Cp,gas	610.72	J/mol×K	825.95	Joback Calculated Property
Cp,gas	619.75	J/mol×K	857.00	Joback Calculated Property
Cp,gas	628.11	J/mol×K	888.05	Joback Calculated Property
Cp,gas	635.81	J/mol×K	919.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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