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

InChI

InChI=1S/C18H23F3O2/c1-2-3-4-5-6-7-8-9-10-13-23-18(22)14-11-12-15(19)17(21)16(14)20/h9-12H,2-8,13H2,1H3/b10-9+

InChI Key

PUQWGAJCMCBGJO-MDZDMXLPSA-N

Formula

C18H23F3O2

SMILES

CCCCCCCCC=CCOC(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

328.37

• 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°	-553.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-928.64	kJ/mol	Joback Calculated Property
ΔfusH°	47.48	kJ/mol	Joback Calculated Property
ΔvapH°	66.59	kJ/mol	Joback Calculated Property
log10WS	-6.75		Crippen Calculated Property
logPoct/wat	5.567		Crippen Calculated Property
McVol	249.170	ml/mol	McGowan Calculated Property
Pc	1374.80	kPa	Joback Calculated Property
Inp	[2045.80; 2045.80]
Inp	2045.80		NIST
Inp	2045.80		NIST
Tboil	731.12	K	Joback Calculated Property
Tc	913.92	K	Joback Calculated Property
Tfus	425.45	K	Joback Calculated Property
Vc	0.994	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.73; 789.65]	J/mol×K	[731.12; 913.92]
Cp,gas	709.73	J/mol×K	731.12	Joback Calculated Property
Cp,gas	724.99	J/mol×K	761.59	Joback Calculated Property
Cp,gas	739.44	J/mol×K	792.05	Joback Calculated Property
Cp,gas	753.10	J/mol×K	822.52	Joback Calculated Property
Cp,gas	766.01	J/mol×K	852.99	Joback Calculated Property
Cp,gas	778.18	J/mol×K	883.45	Joback Calculated Property
Cp,gas	789.65	J/mol×K	913.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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