Chemical Properties of 2-Fluorobenzoic acid, 3-methylbut-2-yl ester

InChI

InChI=1S/C12H15FO2/c1-8(2)9(3)15-12(14)10-6-4-5-7-11(10)13/h4-9H,1-3H3

InChI Key

LMYBEDLSYSXGEU-UHFFFAOYSA-N

Formula

C12H15FO2

SMILES

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

Molecular Weight¹

210.24

• 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°	-280.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-517.42	kJ/mol	Joback Calculated Property
ΔfusH°	19.31	kJ/mol	Joback Calculated Property
ΔvapH°	52.81	kJ/mol	Joback Calculated Property
log10WS	-3.59		Crippen Calculated Property
logPoct/wat	3.027		Crippen Calculated Property
McVol	165.390	ml/mol	McGowan Calculated Property
Pc	2410.00	kPa	Joback Calculated Property
Inp	[1428.00; 1428.00]
Inp	1428.00		NIST
Inp	1428.00		NIST
Tboil	580.30	K	Joback Calculated Property
Tc	785.94	K	Joback Calculated Property
Tfus	306.69	K	Joback Calculated Property
Vc	0.629	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[402.71; 480.12]	J/mol×K	[580.30; 785.94]
Cp,gas	402.71	J/mol×K	580.30	Joback Calculated Property
Cp,gas	417.62	J/mol×K	614.57	Joback Calculated Property
Cp,gas	431.70	J/mol×K	648.85	Joback Calculated Property
Cp,gas	444.97	J/mol×K	683.12	Joback Calculated Property
Cp,gas	457.46	J/mol×K	717.39	Joback Calculated Property
Cp,gas	469.17	J/mol×K	751.67	Joback Calculated Property
Cp,gas	480.12	J/mol×K	785.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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