Chemical Properties of Glutaric acid, but-3-yn-2-yl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C16H17FO5/c1-4-11(2)21-15(18)6-5-7-16(19)22-13-9-8-12(17)10-14(13)20-3/h1,8-11H,5-7H2,2-3H3

InChI Key

FPGOGMNITMZOJZ-UHFFFAOYSA-N

Formula

C16H17FO5

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1ccc(F)cc1OC

Molecular Weight¹

308.30

• 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	0.7630		Relay (1.0) Calculated Property
ΔfG°	-370.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-825.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.75	kJ/mol	Joback Calculated Property
ΔvapH°	90.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	2.475		Crippen Calculated Property
McVol	226.460	ml/mol	McGowan Calculated Property
Pc	1945.79	kPa	Joback Calculated Property
Inp	[2032.00; 2032.00]
Inp	2032.00		NIST
Inp	2032.00		NIST
Tboil	608.05	K	Relay (1.0) Calculated Property
Tc	804.46	K	Relay (1.0) Calculated Property
Tfus	343.80	K	Relay (1.0) Calculated Property
Vc	0.810	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[631.64; 697.55]	J/mol×K	[766.07; 972.92]
Cp,gas	631.64	J/mol×K	766.07	Joback Calculated Property
Cp,gas	645.00	J/mol×K	800.54	Joback Calculated Property
Cp,gas	657.41	J/mol×K	835.02	Joback Calculated Property
Cp,gas	668.87	J/mol×K	869.49	Joback Calculated Property
Cp,gas	679.38	J/mol×K	903.97	Joback Calculated Property
Cp,gas	688.94	J/mol×K	938.44	Joback Calculated Property
Cp,gas	697.55	J/mol×K	972.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 4-fluoro-2-methoxyphenyl ester.

Sources

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

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