Chemical Properties of Terephthalic acid, ethyl 2,2,2-trifluoroethyl ester

InChI

InChI=1S/C12H11F3O4/c1-2-18-10(16)8-3-5-9(6-4-8)11(17)19-7-12(13,14)15/h3-6H,2,7H2,1H3

InChI Key

XWBHWGYGXXCNBS-UHFFFAOYSA-N

Formula

C12H11F3O4

SMILES

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

Molecular Weight¹

276.21

• 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°	-896.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1152.63	kJ/mol	Joback Calculated Property
ΔfusH°	27.89	kJ/mol	Joback Calculated Property
ΔvapH°	59.81	kJ/mol	Joback Calculated Property
log10WS	-3.46		Crippen Calculated Property
logPoct/wat	2.582		Crippen Calculated Property
McVol	176.370	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
Inp	[1715.00; 1715.00]
Inp	1715.00		NIST
Inp	1715.00		NIST
Tboil	652.78	K	Joback Calculated Property
Tc	849.33	K	Joback Calculated Property
Tfus	412.45	K	Joback Calculated Property
Vc	0.691	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.91; 524.75]	J/mol×K	[652.78; 849.33]
Cp,gas	463.91	J/mol×K	652.78	Joback Calculated Property
Cp,gas	475.93	J/mol×K	685.54	Joback Calculated Property
Cp,gas	487.17	J/mol×K	718.30	Joback Calculated Property
Cp,gas	497.66	J/mol×K	751.06	Joback Calculated Property
Cp,gas	507.40	J/mol×K	783.81	Joback Calculated Property
Cp,gas	516.43	J/mol×K	816.57	Joback Calculated Property
Cp,gas	524.75	J/mol×K	849.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 2,2,2-trifluoroethyl 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.