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

• 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°	-384.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-676.47	kJ/mol	Joback Calculated Property
ΔfusH°	26.22	kJ/mol	Joback Calculated Property
ΔvapH°	58.49	kJ/mol	Joback Calculated Property
log10WS	-3.67		Crippen 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	631.02	K	Joback Calculated Property
Tc	828.98	K	Joback Calculated Property
Tfus	367.71	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.