Chemical Properties of Terephthalic acid, ethyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C13H11F5O4/c1-2-21-10(19)8-3-5-9(6-4-8)11(20)22-7-12(14,15)13(16,17)18/h3-6H,2,7H2,1H3

InChI Key

MJDKKFQAGLKQKV-UHFFFAOYSA-N

Formula

C13H11F5O4

SMILES

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

Molecular Weight¹

326.22

• 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°	-1274.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1574.24	kJ/mol	Joback Calculated Property
ΔfusH°	29.22	kJ/mol	Joback Calculated Property
ΔvapH°	59.11	kJ/mol	Joback Calculated Property
log10WS	-4.19		Crippen Calculated Property
logPoct/wat	3.218		Crippen Calculated Property
McVol	194.000	ml/mol	McGowan Calculated Property
Pc	1984.12	kPa	Joback Calculated Property
Inp	[1646.00; 1646.00]
Inp	1646.00		NIST
Inp	1646.00		NIST
Tboil	670.97	K	Joback Calculated Property
Tc	859.73	K	Joback Calculated Property
Tfus	427.32	K	Joback Calculated Property
Vc	0.771	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[533.56; 593.10]	J/mol×K	[670.97; 859.73]
Cp,gas	533.56	J/mol×K	670.97	Joback Calculated Property
Cp,gas	545.43	J/mol×K	702.43	Joback Calculated Property
Cp,gas	556.48	J/mol×K	733.89	Joback Calculated Property
Cp,gas	566.73	J/mol×K	765.35	Joback Calculated Property
Cp,gas	576.23	J/mol×K	796.81	Joback Calculated Property
Cp,gas	585.01	J/mol×K	828.27	Joback Calculated Property
Cp,gas	593.10	J/mol×K	859.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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