Chemical Properties of 2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C10H7ClF2O2/c11-5-2-6-15-10(14)9-7(12)3-1-4-8(9)13/h1-5H,6H2/b5-2+

InChI Key

WKAFCDBHJQUKJC-GORDUTHDSA-N

Formula

C10H7ClF2O2

SMILES

O=C(OCC=CCl)c1c(F)cccc1F

Molecular Weight¹

232.61

• 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°	-428.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.68	kJ/mol	Joback Calculated Property
ΔfusH°	28.26	kJ/mol	Joback Calculated Property
ΔvapH°	53.32	kJ/mol	Joback Calculated Property
log10WS	-3.72		Crippen Calculated Property
logPoct/wat	2.874		Crippen Calculated Property
McVol	146.920	ml/mol	McGowan Calculated Property
Pc	2752.67	kPa	Joback Calculated Property
Inp	[1491.60; 1491.60]
Inp	1491.60		NIST
Inp	1491.60		NIST
Tboil	581.26	K	Joback Calculated Property
Tc	788.87	K	Joback Calculated Property
Tfus	352.10	K	Joback Calculated Property
Vc	0.577	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[321.57; 374.95]	J/mol×K	[581.26; 788.87]
Cp,gas	321.57	J/mol×K	581.26	Joback Calculated Property
Cp,gas	331.97	J/mol×K	615.86	Joback Calculated Property
Cp,gas	341.74	J/mol×K	650.46	Joback Calculated Property
Cp,gas	350.91	J/mol×K	685.06	Joback Calculated Property
Cp,gas	359.48	J/mol×K	719.66	Joback Calculated Property
Cp,gas	367.49	J/mol×K	754.26	Joback Calculated Property
Cp,gas	374.95	J/mol×K	788.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester.

Sources

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

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