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

InChI

InChI=1S/C11H9FO2/c1-3-8(2)14-11(13)9-6-4-5-7-10(9)12/h1,4-8H,2H3

InChI Key

NETSIZKRMPIKBQ-UHFFFAOYSA-N

Formula

C11H9FO2

SMILES

C#CC(C)OC(=O)c1ccccc1F

Molecular Weight¹

192.19

• 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°	-63.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-199.60	kJ/mol	Joback Calculated Property
ΔfusH°	23.22	kJ/mol	Joback Calculated Property
ΔvapH°	50.83	kJ/mol	Joback Calculated Property
log10WS	-3.21		Crippen Calculated Property
logPoct/wat	2.004		Crippen Calculated Property
McVol	142.700	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback Calculated Property
Inp	[1294.00; 1294.00]
Inp	1294.00		NIST
Inp	1294.00		NIST
Tboil	547.98	K	Joback Calculated Property
Tc	767.04	K	Joback Calculated Property
Tfus	357.39	K	Joback Calculated Property
Vc	0.541	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.15; 380.53]	J/mol×K	[547.98; 767.04]
Cp,gas	317.15	J/mol×K	547.98	Joback Calculated Property
Cp,gas	329.53	J/mol×K	584.49	Joback Calculated Property
Cp,gas	341.15	J/mol×K	621.00	Joback Calculated Property
Cp,gas	352.04	J/mol×K	657.51	Joback Calculated Property
Cp,gas	362.22	J/mol×K	694.02	Joback Calculated Property
Cp,gas	371.71	J/mol×K	730.53	Joback Calculated Property
Cp,gas	380.53	J/mol×K	767.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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