Chemical Properties of 2,3,4-Trifluorobenzoic acid, ethyl ester (CAS 351354-50-2)

InChI

InChI=1S/C9H7F3O2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h3-4H,2H2,1H3

InChI Key

MLANUBGYWOMWLZ-UHFFFAOYSA-N

Formula

C9H7F3O2

SMILES

CCOC(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

204.15

CAS

351354-50-2

Other Names

• Ethyl 2,3,4-trifluorobenzoate

• 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°	-709.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-860.10	kJ/mol	Joback Calculated Property
ΔfusH°	23.97	kJ/mol	Joback Calculated Property
ΔvapH°	46.59	kJ/mol	Joback Calculated Property
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	2.281		Crippen Calculated Property
McVol	126.660	ml/mol	McGowan Calculated Property
Pc	2814.34	kPa	Joback Calculated Property
Inp	[1154.00; 1154.00]
Inp	1154.00		NIST
Inp	1154.00		NIST
Tboil	521.04	K	Joback Calculated Property
Tc	709.89	K	Joback Calculated Property
Tfus	329.10	K	Joback Calculated Property
Vc	0.509	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.60; 333.50]	J/mol×K	[521.04; 709.89]
Cp,gas	280.60	J/mol×K	521.04	Joback Calculated Property
Cp,gas	290.49	J/mol×K	552.51	Joback Calculated Property
Cp,gas	299.95	J/mol×K	583.99	Joback Calculated Property
Cp,gas	308.98	J/mol×K	615.46	Joback Calculated Property
Cp,gas	317.58	J/mol×K	646.94	Joback Calculated Property
Cp,gas	325.75	J/mol×K	678.41	Joback Calculated Property
Cp,gas	333.50	J/mol×K	709.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, ethyl 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.