Chemical Properties of Terephthalic acid, butyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C16H16F6O4/c1-2-3-8-25-12(23)10-4-6-11(7-5-10)13(24)26-9-15(18,19)14(17)16(20,21)22/h4-7,14H,2-3,8-9H2,1H3

InChI Key

SCNRQBYHAPARSZ-UHFFFAOYSA-N

Formula

C16H16F6O4

SMILES

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

Molecular Weight¹

386.29

• 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°	-1446.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1837.55	kJ/mol	Joback Calculated Property
ΔfusH°	36.55	kJ/mol	Joback Calculated Property
ΔvapH°	64.58	kJ/mol	Joback Calculated Property
log10WS	-5.41		Crippen Calculated Property
logPoct/wat	4.336		Crippen Calculated Property
McVol	238.040	ml/mol	McGowan Calculated Property
Pc	1514.03	kPa	Joback Calculated Property
Inp	[2037.00; 2037.00]
Inp	2037.00		NIST
Inp	2037.00		NIST
Tboil	738.44	K	Joback Calculated Property
Tc	921.80	K	Joback Calculated Property
Tfus	446.72	K	Joback Calculated Property
Vc	0.952	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.96; 764.54]	J/mol×K	[738.44; 921.80]
Cp,gas	699.96	J/mol×K	738.44	Joback Calculated Property
Cp,gas	712.78	J/mol×K	769.00	Joback Calculated Property
Cp,gas	724.72	J/mol×K	799.56	Joback Calculated Property
Cp,gas	735.83	J/mol×K	830.12	Joback Calculated Property
Cp,gas	746.14	J/mol×K	860.68	Joback Calculated Property
Cp,gas	755.70	J/mol×K	891.24	Joback Calculated Property
Cp,gas	764.54	J/mol×K	921.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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