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

InChI

InChI=1S/C23H29F7O4/c1-2-3-4-5-6-7-8-9-10-15-33-19(31)17-11-13-18(14-12-17)20(32)34-16-21(24,25)22(26,27)23(28,29)30/h11-14H,2-10,15-16H2,1H3

InChI Key

FBJCKJUMXNADJF-UHFFFAOYSA-N

Formula

C23H29F7O4

SMILES

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

Molecular Weight¹

502.46

• 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	1.1255		Relay (1.0) Calculated Property
ΔfG°	-1577.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-2323.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.87	kJ/mol	Joback Calculated Property
ΔvapH°	108.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-8.20		Relay (1.0) Calculated Property
logPoct/wat	7.364		Crippen Calculated Property
McVol	338.440	ml/mol	McGowan Calculated Property
Pc	931.78	kPa	Joback Calculated Property
Inp	[2503.00; 2503.00]
Inp	2503.00		NIST
Inp	2503.00		NIST
Tboil	650.33	K	Relay (1.0) Calculated Property
Tc	786.04	K	Relay (1.0) Calculated Property
Tfus	297.08	K	Relay (1.0) Calculated Property
Vc	1.268	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1109.26; 1185.93]	J/mol×K	[895.08; 1095.92]
Cp,gas	1109.26	J/mol×K	895.08	Joback Calculated Property
Cp,gas	1124.41	J/mol×K	928.55	Joback Calculated Property
Cp,gas	1138.49	J/mol×K	962.03	Joback Calculated Property
Cp,gas	1151.60	J/mol×K	995.50	Joback Calculated Property
Cp,gas	1163.82	J/mol×K	1028.97	Joback Calculated Property
Cp,gas	1175.23	J/mol×K	1062.45	Joback Calculated Property
Cp,gas	1185.93	J/mol×K	1095.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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