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

• 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	0.7450		Relay (1.0) Calculated Property
ΔfG°	-1081.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1252.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.13	kJ/mol	Joback Calculated Property
ΔvapH°	84.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.46	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) 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	546.54	K	Relay (1.0) Calculated Property
Tc	743.78	K	Relay (1.0) Calculated Property
Tfus	340.07	K	Relay (1.0) Calculated Property
Vc	0.772	m3/kmol	Relay (1.0) 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

• 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.