Chemical Properties of 2,6-Difluorobenzoic acid, oct-3-en-2-yl ester

InChI

InChI=1S/C15H18F2O2/c1-3-4-5-6-8-11(2)19-15(18)14-12(16)9-7-10-13(14)17/h6-11H,3-5H2,1-2H3/b8-6+

InChI Key

AFBRFUZNFBUQNO-SOFGYWHQSA-N

Formula

C15H18F2O2

SMILES

CCCCC=CC(C)OC(=O)c1c(F)cccc1F

Molecular Weight¹

268.30

Other Names

• 1-Methyl-2-heptenyl 2,6-difluorobenzoate

• 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°	-377.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-664.42	kJ/mol	Joback Calculated Property
ΔfusH°	33.49	kJ/mol	Joback Calculated Property
ΔvapH°	59.68	kJ/mol	Joback Calculated Property
log10WS	-5.27		Crippen Calculated Property
logPoct/wat	4.256		Crippen Calculated Property
McVol	205.130	ml/mol	McGowan Calculated Property
Pc	1824.72	kPa	Joback Calculated Property
Inp	[1682.90; 1682.90]
Inp	1682.90		NIST
Inp	1682.90		NIST
Tboil	657.79	K	Joback Calculated Property
Tc	851.70	K	Joback Calculated Property
Tfus	363.53	K	Joback Calculated Property
Vc	0.801	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.48; 617.95]	J/mol×K	[657.79; 851.70]
Cp,gas	540.48	J/mol×K	657.79	Joback Calculated Property
Cp,gas	555.37	J/mol×K	690.11	Joback Calculated Property
Cp,gas	569.42	J/mol×K	722.43	Joback Calculated Property
Cp,gas	582.68	J/mol×K	754.74	Joback Calculated Property
Cp,gas	595.17	J/mol×K	787.06	Joback Calculated Property
Cp,gas	606.92	J/mol×K	819.38	Joback Calculated Property
Cp,gas	617.95	J/mol×K	851.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluorobenzoic acid, oct-3-en-2-yl ester.

Sources

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

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