Chemical Properties of 3-Fluorobenzoic acid, pent-2-en-4-ynyl ester

InChI

InChI=1S/C12H9FO2/c1-2-3-4-8-15-12(14)10-6-5-7-11(13)9-10/h1,3-7,9H,8H2/b4-3+

InChI Key

GWQLTTOPHRQTCJ-ONEGZZNKSA-N

Formula

C12H9FO2

SMILES

C#CC=CCOC(=O)c1cccc(F)c1

Molecular Weight¹

204.20

• 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°	27.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-97.74	kJ/mol	Joback Calculated Property
ΔfusH°	29.53	kJ/mol	Joback Calculated Property
ΔvapH°	53.40	kJ/mol	Joback Calculated Property
log10WS	-3.37		Crippen Calculated Property
logPoct/wat	2.172		Crippen Calculated Property
McVol	152.490	ml/mol	McGowan Calculated Property
Pc	2912.39	kPa	Joback Calculated Property
Inp	[1525.50; 1525.50]
Inp	1525.50		NIST
Inp	1525.50		NIST
Tboil	575.46	K	Joback Calculated Property
Tc	795.61	K	Joback Calculated Property
Tfus	378.58	K	Joback Calculated Property
Vc	0.584	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.59; 405.02]	J/mol×K	[575.46; 795.61]
Cp,gas	342.59	J/mol×K	575.46	Joback Calculated Property
Cp,gas	354.90	J/mol×K	612.15	Joback Calculated Property
Cp,gas	366.39	J/mol×K	648.84	Joback Calculated Property
Cp,gas	377.11	J/mol×K	685.54	Joback Calculated Property
Cp,gas	387.09	J/mol×K	722.23	Joback Calculated Property
Cp,gas	396.38	J/mol×K	758.92	Joback Calculated Property
Cp,gas	405.02	J/mol×K	795.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluorobenzoic acid, pent-2-en-4-ynyl ester.

Sources

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

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