Chemical Properties of Pentafluorobenzoic acid, pent-2-en-4-ynyl ester

InChI

InChI=1S/C12H5F5O2/c1-2-3-4-5-19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h1,3-4H,5H2

InChI Key

YDOVTBUPHCWONQ-UHFFFAOYSA-N

Formula

C12H5F5O2

SMILES

C#CC=CCOC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

276.16

• 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°	-790.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-928.06	kJ/mol	Joback Calculated Property
ΔfusH°	40.30	kJ/mol	Joback Calculated Property
ΔvapH°	52.78	kJ/mol	Joback Calculated Property
log10WS	-4.69		Crippen Calculated Property
logPoct/wat	2.728		Crippen Calculated Property
McVol	159.570	ml/mol	McGowan Calculated Property
Pc	2282.77	kPa	Joback Calculated Property
Inp	[1360.00; 1360.00]
Inp	1360.00		NIST
Inp	1360.00		NIST
Tboil	592.46	K	Joback Calculated Property
Tc	778.90	K	Joback Calculated Property
Tfus	431.02	K	Joback Calculated Property
Vc	0.655	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.96; 420.52]	J/mol×K	[592.46; 778.90]
Cp,gas	371.96	J/mol×K	592.46	Joback Calculated Property
Cp,gas	381.18	J/mol×K	623.53	Joback Calculated Property
Cp,gas	389.93	J/mol×K	654.61	Joback Calculated Property
Cp,gas	398.23	J/mol×K	685.68	Joback Calculated Property
Cp,gas	406.08	J/mol×K	716.75	Joback Calculated Property
Cp,gas	413.51	J/mol×K	747.83	Joback Calculated Property
Cp,gas	420.52	J/mol×K	778.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentafluorobenzoic acid, pent-2-en-4-ynyl ester.

Sources

• 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.