Chemical Properties of Terephthalic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C23H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-16-31-20(29)18-12-14-19(15-13-18)21(30)32-17-22(24,25)23(26,27)28/h12-15H,2-11,16-17H2,1H3

InChI Key

ZQUKKQZMKHBPJB-UHFFFAOYSA-N

Formula

C23H31F5O4

SMILES

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

Molecular Weight¹

466.49

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ω	1.1255		Relay (1.0) Calculated Property
ΔfH°gas	-1928.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.29	kJ/mol	Joback Calculated Property
ΔvapH°	111.42	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.91		Relay (1.0) Calculated Property
logPoct/wat	7.119		Crippen Calculated Property
McVol	334.900	ml/mol	McGowan Calculated Property
Pc	925.55	kPa	Joback Calculated Property
Inp	[2570.00; 2570.00]
Inp	2570.00		NIST
Inp	2570.00		NIST
Tboil	650.63	K	Relay (1.0) Calculated Property
Tc	797.21	K	Relay (1.0) Calculated Property
Tfus	307.95	K	Relay (1.0) Calculated Property
Vc	1.256	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1080.72; 1158.06]	J/mol×K	[863.83; 1057.87]
Cp,gas	1080.72	J/mol×K	863.83	Joback Calculated Property
Cp,gas	1096.35	J/mol×K	896.17	Joback Calculated Property
Cp,gas	1110.80	J/mol×K	928.51	Joback Calculated Property
Cp,gas	1124.13	J/mol×K	960.85	Joback Calculated Property
Cp,gas	1136.40	J/mol×K	993.19	Joback Calculated Property
Cp,gas	1147.69	J/mol×K	1025.53	Joback Calculated Property
Cp,gas	1158.06	J/mol×K	1057.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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