Chemical Properties of Terephthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI

InChI=1S/C14H11F7O4/c1-2-24-10(22)8-3-5-9(6-4-8)11(23)25-7-12(15,16)13(17,18)14(19,20)21/h3-6H,2,7H2,1H3

InChI Key

CQVQIYBTYMVFTO-UHFFFAOYSA-N

Formula

C14H11F7O4

SMILES

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

Molecular Weight¹

376.22

• 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°	-1653.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1995.85	kJ/mol	Joback Calculated Property
ΔfusH°	30.56	kJ/mol	Joback Calculated Property
ΔvapH°	58.40	kJ/mol	Joback Calculated Property
log10WS	-4.92		Crippen Calculated Property
logPoct/wat	3.853		Crippen Calculated Property
McVol	211.630	ml/mol	McGowan Calculated Property
Pc	1718.88	kPa	Joback Calculated Property
Inp	[1634.00; 1634.00]
Inp	1634.00		NIST
Inp	1634.00		NIST
Tboil	689.16	K	Joback Calculated Property
Tc	871.66	K	Joback Calculated Property
Tfus	442.19	K	Joback Calculated Property
Vc	0.853	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[603.84; 661.96]	J/mol×K	[689.16; 871.66]
Cp,gas	603.84	J/mol×K	689.16	Joback Calculated Property
Cp,gas	615.50	J/mol×K	719.58	Joback Calculated Property
Cp,gas	626.31	J/mol×K	749.99	Joback Calculated Property
Cp,gas	636.31	J/mol×K	780.41	Joback Calculated Property
Cp,gas	645.56	J/mol×K	810.83	Joback Calculated Property
Cp,gas	654.09	J/mol×K	841.25	Joback Calculated Property
Cp,gas	661.96	J/mol×K	871.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester.

Sources

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

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