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

InChI

InChI=1S/C22H27F7O4/c1-2-3-4-5-6-7-8-9-14-32-18(30)16-10-12-17(13-11-16)19(31)33-15-20(23,24)21(25,26)22(27,28)29/h10-13H,2-9,14-15H2,1H3

InChI Key

HEQGLWRGMHKLME-UHFFFAOYSA-N

Formula

C22H27F7O4

SMILES

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

Molecular Weight¹

488.44

• 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	1.0880		Relay (... Calculated Property
ΔfG°	-1585.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-2303.82	kJ/mol	Relay (... Calculated Property
ΔfusH°	51.28	kJ/mol	Joback Calculated Property
ΔvapH°	104.67	kJ/mol	Relay (... Calculated Property
IE	9.89	eV	Relay (... Calculated Property
log10WS	-7.94		Relay (... Calculated Property
logPoct/wat	6.974		Crippen Calculated Property
McVol	324.350	ml/mol	McGowan Calculated Property
Pc	988.88	kPa	Joback Calculated Property
Inp	[2408.00; 2408.00]
Inp	2408.00		NIST
Inp	2408.00		NIST
Tboil	641.49	K	Relay (... Calculated Property
Tc	776.99	K	Relay (... Calculated Property
Tfus	294.97	K	Relay (... Calculated Property
Vc	1.215	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1049.79; 1124.05]	J/mol×K	[872.20; 1067.96]
Cp,gas	1049.79	J/mol×K	872.20	Joback Calculated Property
Cp,gas	1064.46	J/mol×K	904.83	Joback Calculated Property
Cp,gas	1078.11	J/mol×K	937.45	Joback Calculated Property
Cp,gas	1090.81	J/mol×K	970.08	Joback Calculated Property
Cp,gas	1102.65	J/mol×K	1002.71	Joback Calculated Property
Cp,gas	1113.70	J/mol×K	1035.34	Joback Calculated Property
Cp,gas	1124.05	J/mol×K	1067.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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