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

InChI

InChI=1S/C18H20F6O4/c1-2-3-4-5-10-27-14(25)12-6-8-13(9-7-12)15(26)28-11-17(20,21)16(19)18(22,23)24/h6-9,16H,2-5,10-11H2,1H3

InChI Key

CARYOMYDKZDRJU-UHFFFAOYSA-N

Formula

C18H20F6O4

SMILES

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

Molecular Weight¹

414.34

• 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°	-1430.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1878.83	kJ/mol	Joback Calculated Property
ΔfusH°	41.73	kJ/mol	Joback Calculated Property
ΔvapH°	69.03	kJ/mol	Joback Calculated Property
log10WS	-6.25		Crippen Calculated Property
logPoct/wat	5.116		Crippen Calculated Property
McVol	266.220	ml/mol	McGowan Calculated Property
Pc	1310.85	kPa	Joback Calculated Property
Inp	[2225.00; 2225.00]
Inp	2225.00		NIST
Inp	2225.00		NIST
Tboil	784.20	K	Joback Calculated Property
Tc	969.19	K	Joback Calculated Property
Tfus	469.26	K	Joback Calculated Property
Vc	1.063	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[810.58; 878.71]	J/mol×K	[784.20; 969.19]
Cp,gas	810.58	J/mol×K	784.20	Joback Calculated Property
Cp,gas	824.10	J/mol×K	815.03	Joback Calculated Property
Cp,gas	836.70	J/mol×K	845.86	Joback Calculated Property
Cp,gas	848.41	J/mol×K	876.69	Joback Calculated Property
Cp,gas	859.29	J/mol×K	907.52	Joback Calculated Property
Cp,gas	869.37	J/mol×K	938.36	Joback Calculated Property
Cp,gas	878.71	J/mol×K	969.19	Joback Calculated Property

Similar Compounds

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

Sources

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

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