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

InChI

InChI=1S/C16H13F5O4/c1-3-8(2)25-11(23)6-4-5-10(22)24-7-9-12(17)14(19)16(21)15(20)13(9)18/h1,8H,4-7H2,2H3

InChI Key

DECBWZCUXWSGDF-UHFFFAOYSA-N

Formula

C16H13F5O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

364.26

• 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°	-1073.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1377.92	kJ/mol	Joback Calculated Property
ΔfusH°	49.72	kJ/mol	Joback Calculated Property
ΔvapH°	70.49	kJ/mol	Joback Calculated Property
log10WS	-5.41		Crippen Calculated Property
logPoct/wat	3.160		Crippen Calculated Property
McVol	227.670	ml/mol	McGowan Calculated Property
Pc	1632.49	kPa	Joback Calculated Property
Inp	[1819.00; 1819.00]
Inp	1819.00		NIST
Inp	1819.00		NIST
Tboil	755.67	K	Joback Calculated Property
Tc	941.98	K	Joback Calculated Property
Tfus	538.34	K	Joback Calculated Property
Vc	0.917	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.79; 691.31]	J/mol×K	[755.67; 941.98]
Cp,gas	632.79	J/mol×K	755.67	Joback Calculated Property
Cp,gas	644.32	J/mol×K	786.72	Joback Calculated Property
Cp,gas	655.14	J/mol×K	817.77	Joback Calculated Property
Cp,gas	665.25	J/mol×K	848.83	Joback Calculated Property
Cp,gas	674.65	J/mol×K	879.88	Joback Calculated Property
Cp,gas	683.33	J/mol×K	910.93	Joback Calculated Property
Cp,gas	691.31	J/mol×K	941.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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