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

InChI

InChI=1S/C15H14F6O4/c1-2-7-24-11(22)9-3-5-10(6-4-9)12(23)25-8-14(17,18)13(16)15(19,20)21/h3-6,13H,2,7-8H2,1H3

InChI Key

JKCHSDSPNYNMCO-UHFFFAOYSA-N

Formula

C15H14F6O4

SMILES

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

Molecular Weight¹

372.26

• 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°	-1455.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-1816.91	kJ/mol	Joback Calculated Property
ΔfusH°	33.96	kJ/mol	Joback Calculated Property
ΔvapH°	62.35	kJ/mol	Joback Calculated Property
log10WS	-4.99		Crippen Calculated Property
logPoct/wat	3.946		Crippen Calculated Property
McVol	223.950	ml/mol	McGowan Calculated Property
Pc	1633.81	kPa	Joback Calculated Property
Inp	[1833.00; 1833.00]
Inp	1833.00		NIST
Inp	1833.00		NIST
Tboil	715.56	K	Joback Calculated Property
Tc	898.96	K	Joback Calculated Property
Tfus	435.45	K	Joback Calculated Property
Vc	0.895	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[646.20; 708.82]	J/mol×K	[715.56; 898.96]
Cp,gas	646.20	J/mol×K	715.56	Joback Calculated Property
Cp,gas	658.64	J/mol×K	746.13	Joback Calculated Property
Cp,gas	670.23	J/mol×K	776.69	Joback Calculated Property
Cp,gas	681.01	J/mol×K	807.26	Joback Calculated Property
Cp,gas	691.01	J/mol×K	837.83	Joback Calculated Property
Cp,gas	700.27	J/mol×K	868.40	Joback Calculated Property
Cp,gas	708.82	J/mol×K	898.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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