Chemical Properties of 3-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C13H17FO3/c1-10(6-7-16-2)9-17-13(15)11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9H2,1-2H3

InChI Key

BZIRZKZQTYWOSX-UHFFFAOYSA-N

Formula

C13H17FO3

SMILES

COCCC(C)COC(=O)c1cccc(F)c1

Molecular Weight¹

240.27

• 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°	-374.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-665.00	kJ/mol	Joback Calculated Property
ΔfusH°	26.61	kJ/mol	Joback Calculated Property
ΔvapH°	57.83	kJ/mol	Joback Calculated Property
log10WS	-2.98		Crippen Calculated Property
logPoct/wat	2.655		Crippen Calculated Property
McVol	185.350	ml/mol	McGowan Calculated Property
Pc	2147.32	kPa	Joback Calculated Property
Inp	[1664.00; 1664.00]
Inp	1664.00		NIST
Inp	1664.00		NIST
Tboil	626.04	K	Joback Calculated Property
Tc	823.10	K	Joback Calculated Property
Tfus	355.19	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[477.93; 555.60]	J/mol×K	[626.04; 823.10]
Cp,gas	477.93	J/mol×K	626.04	Joback Calculated Property
Cp,gas	492.83	J/mol×K	658.88	Joback Calculated Property
Cp,gas	506.94	J/mol×K	691.73	Joback Calculated Property
Cp,gas	520.26	J/mol×K	724.57	Joback Calculated Property
Cp,gas	532.81	J/mol×K	757.41	Joback Calculated Property
Cp,gas	544.59	J/mol×K	790.26	Joback Calculated Property
Cp,gas	555.60	J/mol×K	823.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester.

Sources

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

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