Chemical Properties of 4-Fluorobenzoic acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C10H8ClFO2/c11-6-1-7-14-10(13)8-2-4-9(12)5-3-8/h1-6H,7H2/b6-1+

InChI Key

SSUKEGHTTWEKSA-LZCJLJQNSA-N

Formula

C10H8ClFO2

SMILES

O=C(OCC=CCl)c1ccc(F)cc1

Molecular Weight¹

214.62

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5163		Relay (... Calculated Property
ΔfG°	-224.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-438.79	kJ/mol	Relay (... Calculated Property
ΔfusH°	25.57	kJ/mol	Joback Calculated Property
ΔvapH°	72.53	kJ/mol	Relay (... Calculated Property
IE	9.40	eV	Relay (... Calculated Property
log10WS	-3.85		Relay (... Calculated Property
logPoct/wat	2.735		Crippen Calculated Property
McVol	145.150	ml/mol	McGowan Calculated Property
Pc	2934.52	kPa	Joback Calculated Property
Inp	[1432.00; 1432.00]
Inp	1432.00		NIST
Inp	1432.00		NIST
Tboil	528.80	K	Relay (... Calculated Property
Tc	737.95	K	Relay (... Calculated Property
Tfus	289.33	K	Relay (... Calculated Property
Vc	0.506	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.23; 371.21]	J/mol×K	[577.01; 793.90]
Cp,gas	314.23	J/mol×K	577.01	Joback Calculated Property
Cp,gas	325.45	J/mol×K	613.16	Joback Calculated Property
Cp,gas	335.94	J/mol×K	649.31	Joback Calculated Property
Cp,gas	345.73	J/mol×K	685.45	Joback Calculated Property
Cp,gas	354.86	J/mol×K	721.60	Joback Calculated Property
Cp,gas	363.34	J/mol×K	757.75	Joback Calculated Property
Cp,gas	371.21	J/mol×K	793.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluorobenzoic acid, 3-chloroprop-2-enyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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