Chemical Properties of 2,3,4-Trifluorobenzoic acid, pent-2-en-4-ynyl ester

InChI

InChI=1S/C12H7F3O2/c1-2-3-4-7-17-12(16)8-5-6-9(13)11(15)10(8)14/h1,3-6H,7H2/b4-3+

InChI Key

NNNUEGOUIVSAFU-ONEGZZNKSA-N

Formula

C12H7F3O2

SMILES

C#CC=CCOC(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

240.18

• 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°	-381.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-512.90	kJ/mol	Joback Calculated Property
ΔfusH°	34.91	kJ/mol	Joback Calculated Property
ΔvapH°	53.09	kJ/mol	Joback Calculated Property
log10WS	-4.03		Crippen Calculated Property
logPoct/wat	2.450		Crippen Calculated Property
McVol	156.030	ml/mol	McGowan Calculated Property
Pc	2568.89	kPa	Joback Calculated Property
Inp	[1505.30; 1505.30]
Inp	1505.30		NIST
Inp	1505.30		NIST
Tboil	583.96	K	Joback Calculated Property
Tc	785.79	K	Joback Calculated Property
Tfus	404.80	K	Joback Calculated Property
Vc	0.620	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[357.44; 412.40]	J/mol×K	[583.96; 785.79]
Cp,gas	357.44	J/mol×K	583.96	Joback Calculated Property
Cp,gas	368.05	J/mol×K	617.60	Joback Calculated Property
Cp,gas	378.06	J/mol×K	651.24	Joback Calculated Property
Cp,gas	387.47	J/mol×K	684.88	Joback Calculated Property
Cp,gas	396.31	J/mol×K	718.51	Joback Calculated Property
Cp,gas	404.61	J/mol×K	752.15	Joback Calculated Property
Cp,gas	412.40	J/mol×K	785.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, pent-2-en-4-ynyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.