Chemical Properties of 2-Ethylbutyric acid, 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C13H17FO3/c1-4-9(5-2)13(15)17-11-7-6-10(14)8-12(11)16-3/h6-9H,4-5H2,1-3H3

InChI Key

QZGLLTJQEQEQJH-UHFFFAOYSA-N

Formula

C13H17FO3

SMILES

CCC(CC)C(=O)Oc1ccc(F)cc1OC

Molecular Weight¹

240.27

• 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	0.6509		Relay (1.0) Calculated Property
ΔfG°	-384.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-728.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.22	kJ/mol	Joback Calculated Property
ΔvapH°	74.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-3.72		Relay (1.0) Calculated Property
logPoct/wat	3.176		Crippen Calculated Property
McVol	185.350	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1559.00; 1559.00]
Inp	1559.00		NIST
Inp	1559.00		NIST
Tboil	535.01	K	Relay (1.0) Calculated Property
Tc	750.41	K	Relay (1.0) Calculated Property
Tfus	299.92	K	Relay (1.0) Calculated Property
Vc	0.665	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[477.44; 554.37]	J/mol×K	[631.02; 828.98]
Cp,gas	477.44	J/mol×K	631.02	Joback Calculated Property
Cp,gas	492.16	J/mol×K	664.01	Joback Calculated Property
Cp,gas	506.11	J/mol×K	697.01	Joback Calculated Property
Cp,gas	519.31	J/mol×K	730.00	Joback Calculated Property
Cp,gas	531.75	J/mol×K	762.99	Joback Calculated Property
Cp,gas	543.44	J/mol×K	795.98	Joback Calculated Property
Cp,gas	554.37	J/mol×K	828.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 4-fluoro-2-methoxyphenyl ester.

Sources

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

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