Chemical Properties of 2,4-Difluorobenzoic acid, 3-ethylphenyl ester

InChI

InChI=1S/C15H12F2O2/c1-2-10-4-3-5-12(8-10)19-15(18)13-7-6-11(16)9-14(13)17/h3-9H,2H2,1H3

InChI Key

WTPBFFIUTFWTNU-UHFFFAOYSA-N

Formula

C15H12F2O2

SMILES

CCc1cccc(OC(=O)c2ccc(F)cc2F)c1

Molecular Weight¹

262.25

• 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°	-352.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-551.30	kJ/mol	Joback Calculated Property
ΔfusH°	30.47	kJ/mol	Joback Calculated Property
ΔvapH°	63.04	kJ/mol	Joback Calculated Property
log10WS	-5.02		Crippen Calculated Property
logPoct/wat	3.746		Crippen Calculated Property
McVol	185.670	ml/mol	McGowan Calculated Property
Pc	2300.32	kPa	Joback Calculated Property
Inp	[1842.00; 1842.00]
Inp	1842.00		NIST
Inp	1842.00		NIST
Tboil	685.73	K	Joback Calculated Property
Tc	905.30	K	Joback Calculated Property
Tfus	422.55	K	Joback Calculated Property
Vc	0.720	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[479.81; 548.57]	J/mol×K	[685.73; 905.30]
Cp,gas	479.81	J/mol×K	685.73	Joback Calculated Property
Cp,gas	493.59	J/mol×K	722.32	Joback Calculated Property
Cp,gas	506.40	J/mol×K	758.92	Joback Calculated Property
Cp,gas	518.28	J/mol×K	795.51	Joback Calculated Property
Cp,gas	529.25	J/mol×K	832.11	Joback Calculated Property
Cp,gas	539.34	J/mol×K	868.70	Joback Calculated Property
Cp,gas	548.57	J/mol×K	905.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Difluorobenzoic acid, 3-ethylphenyl ester.

Sources

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

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