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

InChI

InChI=1S/C16H14F4O4/c1-3-10(2)23-13(21)8-5-9-14(22)24-12-7-4-6-11(15(12)17)16(18,19)20/h1,4,6-7,10H,5,8-9H2,2H3

InChI Key

UKGGHFJZIBFUIB-UHFFFAOYSA-N

Formula

C16H14F4O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

346.27

• 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	0.7204		Relay (... Calculated Property
ΔfG°	-846.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1323.46	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.39	kJ/mol	Joback Calculated Property
ΔvapH°	83.32	kJ/mol	Relay (... Calculated Property
IE	9.14	eV	Relay (... Calculated Property
log10WS	-4.16		Relay (... Calculated Property
logPoct/wat	3.485		Crippen Calculated Property
McVol	225.900	ml/mol	McGowan Calculated Property
Pc	1786.37	kPa	Joback Calculated Property
Inp	[1815.00; 1815.00]
Inp	1815.00		NIST
Inp	1815.00		NIST
Tboil	571.27	K	Relay (... Calculated Property
Tc	762.99	K	Relay (... Calculated Property
Tfus	336.62	K	Relay (... Calculated Property
Vc	0.804	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.91; 692.92]	J/mol×K	[738.23; 933.96]
Cp,gas	630.91	J/mol×K	738.23	Joback Calculated Property
Cp,gas	643.27	J/mol×K	770.85	Joback Calculated Property
Cp,gas	654.78	J/mol×K	803.47	Joback Calculated Property
Cp,gas	665.47	J/mol×K	836.09	Joback Calculated Property
Cp,gas	675.37	J/mol×K	868.71	Joback Calculated Property
Cp,gas	684.51	J/mol×K	901.34	Joback Calculated Property
Cp,gas	692.92	J/mol×K	933.96	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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