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

InChI

InChI=1S/C10H6ClF3O2/c11-4-1-5-16-10(15)6-2-3-7(12)9(14)8(6)13/h1-4H,5H2/b4-1+

InChI Key

GAXBRMYVJHBNHQ-DAFODLJHSA-N

Formula

C10H6ClF3O2

SMILES

O=C(OCC=CCl)c1ccc(F)c(F)c1F

Molecular Weight¹

250.60

• 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°	-633.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-779.26	kJ/mol	Joback Calculated Property
ΔfusH°	30.96	kJ/mol	Joback Calculated Property
ΔvapH°	53.16	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	3.013		Crippen Calculated Property
McVol	148.690	ml/mol	McGowan Calculated Property
Pc	2587.22	kPa	Joback Calculated Property
Inp	[1485.40; 1485.40]
Inp	1485.40		NIST
Inp	1485.40		NIST
Tboil	585.51	K	Joback Calculated Property
Tc	784.59	K	Joback Calculated Property
Tfus	365.21	K	Joback Calculated Property
Vc	0.595	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[328.83; 378.87]	J/mol×K	[585.51; 784.59]
Cp,gas	328.83	J/mol×K	585.51	Joback Calculated Property
Cp,gas	338.49	J/mol×K	618.69	Joback Calculated Property
Cp,gas	347.60	J/mol×K	651.87	Joback Calculated Property
Cp,gas	356.18	J/mol×K	685.05	Joback Calculated Property
Cp,gas	364.24	J/mol×K	718.23	Joback Calculated Property
Cp,gas	371.80	J/mol×K	751.41	Joback Calculated Property
Cp,gas	378.87	J/mol×K	784.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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