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

InChI

InChI=1S/C15H20F2O2/c1-3-5-6-11(4-2)10-19-15(18)12-7-8-13(16)14(17)9-12/h7-9,11H,3-6,10H2,1-2H3

InChI Key

JWASMULRJNZYNO-UHFFFAOYSA-N

Formula

C15H20F2O2

SMILES

CCCCC(CC)COC(=O)c1ccc(F)c(F)c1

Molecular Weight¹

270.31

• 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°	-457.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-781.64	kJ/mol	Joback Calculated Property
ΔfusH°	33.29	kJ/mol	Joback Calculated Property
ΔvapH°	59.72	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	4.338		Crippen Calculated Property
McVol	209.430	ml/mol	McGowan Calculated Property
Pc	1746.28	kPa	Joback Calculated Property
Inp	[1676.00; 1676.00]
Inp	1676.00		NIST
Inp	1676.00		NIST
Tboil	653.63	K	Joback Calculated Property
Tc	840.96	K	Joback Calculated Property
Tfus	368.61	K	Joback Calculated Property
Vc	0.822	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.18; 642.80]	J/mol×K	[653.63; 840.96]
Cp,gas	562.18	J/mol×K	653.63	Joback Calculated Property
Cp,gas	577.57	J/mol×K	684.85	Joback Calculated Property
Cp,gas	592.15	J/mol×K	716.07	Joback Calculated Property
Cp,gas	605.95	J/mol×K	747.29	Joback Calculated Property
Cp,gas	618.98	J/mol×K	778.51	Joback Calculated Property
Cp,gas	631.26	J/mol×K	809.74	Joback Calculated Property
Cp,gas	642.80	J/mol×K	840.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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