Chemical Properties of Terephthalic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester

InChI

InChI=1S/C16H10F12O4/c17-11(15(23,24)25)13(19,20)5-31-9(29)7-1-2-8(4-3-7)10(30)32-6-14(21,22)12(18)16(26,27)28/h1-4,11-12H,5-6H2

InChI Key

ABNIWOUPOFLHEM-UHFFFAOYSA-N

Formula

C16H10F12O4

SMILES

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

Molecular Weight¹

494.23

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8809		Relay (... Calculated Property
ΔfG°	-2612.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-3187.66	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.68	kJ/mol	Joback Calculated Property
ΔvapH°	89.81	kJ/mol	Relay (... Calculated Property
IE	10.46	eV	Relay (... Calculated Property
log10WS	-7.23		Relay (... Calculated Property
logPoct/wat	5.072		Crippen Calculated Property
McVol	248.660	ml/mol	McGowan Calculated Property
Pc	1280.99	kPa	Joback Calculated Property
Inp	[1696.00; 1696.00]
Inp	1696.00		NIST
Inp	1696.00		NIST
Tboil	578.87	K	Relay (... Calculated Property
Tc	742.97	K	Relay (... Calculated Property
Tfus	359.16	K	Relay (... Calculated Property
Vc	0.944	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[752.25; 807.38]	J/mol×K	[727.16; 897.44]
Cp,gas	752.25	J/mol×K	727.16	Joback Calculated Property
Cp,gas	763.35	J/mol×K	755.54	Joback Calculated Property
Cp,gas	773.61	J/mol×K	783.92	Joback Calculated Property
Cp,gas	783.09	J/mol×K	812.30	Joback Calculated Property
Cp,gas	791.84	J/mol×K	840.68	Joback Calculated Property
Cp,gas	799.92	J/mol×K	869.06	Joback Calculated Property
Cp,gas	807.38	J/mol×K	897.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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